# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-30T23:58:08+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'ACS Energy Letters') AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"4514442","34.337","0.002","15.5018","0.001","28.7158","0.0019","90","","114.458","0.003","90","","13913.4","1.6","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C83 H70 Cl2 N4 O8 -","- C83 H70 Cl2 N4 O8 -","- C664 H560 Cl16 N32 O64 -","8","2","","Ren, Ming; Wang, Jianan; Xie, Xinrui; Zhang, Jing; Wang, Peng","Double-Helicene-Based Hole-Transporter for Perovskite Solar Cells with 22% Efficiency and Operation Durability","ACS Energy Letters","2019","","","2683","","10.1021/acsenergylett.9b01949","","","1.54178","CuKα","","0.1107","0.087","","","0.2754","0.3098","","","","","","1.2","","","","has coordinates","219545","2020-10-21","18:00:00",""
"4515172","24.823","0.005","10.2507","0.0019","11.275","0.002","90","","103.362","0.004","90","","2791.3","0.9","297","2","297","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C21 H15 N -","- C21 H15 N -","- C168 H120 N8 -","8","2","","Liu, Fan; Wu, Fei; Ling, Weidong; Tu, Zongxiao; Zhang, Jianqi; Wei, Zhixiang; Zhu, Linna; Li, Qianqian; Li, Zhen","Facile-Effective Hole-Transporting Materials Based on Dibenzo[a,c]carbazole: The Key Role of Linkage Position to Photovoltaic Performance of Perovskite Solar Cells","ACS Energy Letters","2019","4","10","2514","","10.1021/acsenergylett.9b01539","","","0.71073","MoKα","","0.0559","0.0364","","","0.0846","0.1023","","","","","","1.162","","","","has coordinates","220274","2020-10-21","18:00:00",""
"4515173","14.6247","0.0003","14.6247","0.0003","30.1473","0.0006","90","","90","","120","","5584.1","0.2","110","","110","","","","","","","","","6","P 63","P 6c","173","","","","- C81 H180 Cl19 N9 Pb3 Zn2 -","- C81 H180 Cl19 N9 Pb3 Zn2 -","- C162 H360 Cl38 N18 Pb6 Zn4 -","2","0.333333","","Zhou, Chenkun; Lin, Haoran; Neu, Jennifer; Zhou, Yan; Chaaban, Maya; Lee, Sujin; Worku, Michael; Chen, Banghao; Clark, Ronald; Cheng, Wenhao; Guan, Jingjiao; Djurovich, Peter; Zhang, Dongzhou; Lü, Xujie; Bullock, James; Pak, Chongin; Shatruk, Michael; Du, Mao-Hua; Siegrist, Theo; Ma, Biwu","Green Emitting Single-Crystalline Bulk Assembly of Metal Halide Clusters with Near-Unity Photoluminescence Quantum Efficiency","ACS Energy Letters","2019","4","7","1579","","10.1021/acsenergylett.9b00991","","","0.71073","MoKα","","0.0665","0.0592","","0.0963","0.0936","0.0921","","","","","","0.9966","","","","has coordinates","220275","2020-10-21","18:00:00",""
"4515174","15.6998","0.0003","15.6998","0.0003","8.0618","0.0003","90","","90","","120","","1720.88","0.08","293","","293","","","","","","","","","6","P -6","P -6","174","thiazolium lead iodide","","","- C3 H3 I4.5 N3 Pb1.5 S1.5 -","- C3 H6 I4.5 N3 Pb1.5 S1.5 -","- C12 H24 I18 N12 Pb6 S6 -","4","0.666667","","Gao, Lili; Spanopoulos, Ioannis; Ke, Weijun; Huang, Sheng; Hadar, Ido; Chen, Lin; Li, Xiaolei; Yang, Guanjun; Kanatzidis, Mercouri G.","Improved Environmental Stability and Solar Cell Efficiency of (MA,FA)PbI3 Perovskite Using a Wide-Band-Gap 1D Thiazolium Lead Iodide Capping Layer Strategy","ACS Energy Letters","2019","4","7","1763","","10.1021/acsenergylett.9b00930","","x-ray","0.71073","MoKα","","0.0511","0.0478","","","0.1406","0.1414","","","","4.52","4.52","4.37","","","","has coordinates","220276","2020-10-21","18:00:00",""
"4515175","2.845","0.003","2.845","0.003","17.88","0.016","90","","90","","120","","125.3","0.2","295","2","295","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Co O2 Pd -","- Co3 O6 Pd3 -","- Co3 O6 Pd3 -","1","0.0277778","","Li, Guowei; Khim, Seunghyun; Chang, Celesta S.; Fu, Chenguang; Nandi, Nabhanila; Li, Fan; Yang, Qun; Blake, Graeme R.; Parkin, Stuart; Auffermann, Gudrun; Sun, Yan; Muller, David A.; Mackenzie, Andrew P.; Felser, Claudia","In Situ Modification of a Delafossite-Type PdCoO<sub>2</sub> Bulk Single Crystal for Reversible Hydrogen Sorption and Fast Hydrogen Evolution.","ACS energy letters","2019","4","9","2185","2191","10.1021/acsenergylett.9b01527","","","0.71073","MoKα","","0.0297","0.0297","","","0.0709","0.0709","","","","","","1.299","","","","has coordinates","220277","2020-10-21","18:00:00",""
"4516196","14.1404","0.0003","5.79829","0.00012","14.2252","0.0003","90","","90","","90","","1166.33","0.04","100","","100","","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C4 H14 Cl4 N2 Pb -","- C4 H26 Cl4 N2 Pb -","- C16 H104 Cl16 N8 Pb4 -","4","0.25","","Wu, Guanhong; Zhou, Chenkun; Ming, Wenmei; Han, Dan; Chen, Shiyou; Yang, Dong; Besara, Tiglet; Neu, Jennifer; Siegrist, Theo; Du, Mao-Hua; Ma, Biwu; Dong, Angang","A One-Dimensional Organic Lead Chloride Hybrid with Excitation-Dependent Broadband Emissions","ACS Energy Letters","2018","3","6","1443","","10.1021/acsenergylett.8b00661","","","0.71073","MoKα","","0.0302","0.028","","0.0575","0.0565","0.0575","","","","","","1.0827","","","","has coordinates","226182","2020-10-21","18:00:00",""
"4516197","14.62","0.009","14.62","0.009","6.392","0.004","90","","90","","90","","1366.3","1.5","296","2","296","2","","","","","","","","6","P 4/m","-P 4","83","","","","- C5.4 H22.2 I7 N3.6 O2.4 Sn2 -","- I7 Sn2 -","- I14 Sn4 -","2","0.25","","Tsai, Cheng-Min; Lin, Yu-Pei; Pola, Murali Krishna; Narra, Sudhakar; Jokar, Efat; Yang, Yaw-Wen; Diau, Eric Wei-Guang","Control of Crystal Structures and Optical Properties with Hybrid Formamidinium and 2-Hydroxyethylammonium Cations for Mesoscopic Carbon-Electrode Tin-Based Perovskite Solar Cells","ACS Energy Letters","2018","3","9","2077","","10.1021/acsenergylett.8b01046","","","0.71073","MoKα","","0.1847","0.0588","","","0.1588","0.2114","","","","","","0.802","","","","has coordinates","226183","2020-10-21","18:00:00",""
"4516198","13.0062","0.0018","19.617","0.004","6.3852","0.0013","90","","90","","90","","1629.1","0.5","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H16 I4 N2 O2 Sn -","- C4 H16 I4 N2 O2 Sn -","- C16 H64 I16 N8 O8 Sn4 -","4","0.5","","Tsai, Cheng-Min; Lin, Yu-Pei; Pola, Murali Krishna; Narra, Sudhakar; Jokar, Efat; Yang, Yaw-Wen; Diau, Eric Wei-Guang","Control of Crystal Structures and Optical Properties with Hybrid Formamidinium and 2-Hydroxyethylammonium Cations for Mesoscopic Carbon-Electrode Tin-Based Perovskite Solar Cells","ACS Energy Letters","2018","3","9","2077","","10.1021/acsenergylett.8b01046","","","0.71073","MoKα","","0.0384","0.0335","","","0.0809","0.0841","","","","","","1.068","","","","has coordinates","226184","2020-10-21","18:00:00",""
"4516199","10.1959","0.0002","9.0234","0.0002","8.9297","0.0002","90","","100.36","0.001","90","","808.15","0.03","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H16 I4 N2 O2 Sn -","- C4 H16 I4 N2 O2 Sn -","- C8 H32 I8 N4 O4 Sn2 -","2","0.5","","Tsai, Cheng-Min; Lin, Yu-Pei; Pola, Murali Krishna; Narra, Sudhakar; Jokar, Efat; Yang, Yaw-Wen; Diau, Eric Wei-Guang","Control of Crystal Structures and Optical Properties with Hybrid Formamidinium and 2-Hydroxyethylammonium Cations for Mesoscopic Carbon-Electrode Tin-Based Perovskite Solar Cells","ACS Energy Letters","2018","3","9","2077","","10.1021/acsenergylett.8b01046","","","0.71073","MoKα","","0.0237","0.02","","","0.0429","0.0443","","","","","","1.065","","","","has coordinates","226185","2020-10-21","18:00:00",""
"4516200","8.92","0.004","8.92","0.004","10.934","0.004","90","","90","","120","","753.4","0.6","296","2","296","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C1.4 H6.2 I3 N1.6 O0.4 Sn -","- C2.01 I3 N1.34 Sn -","- C6.03 I9 N4.02 Sn3 -","3","0.333333","","Tsai, Cheng-Min; Lin, Yu-Pei; Pola, Murali Krishna; Narra, Sudhakar; Jokar, Efat; Yang, Yaw-Wen; Diau, Eric Wei-Guang","Control of Crystal Structures and Optical Properties with Hybrid Formamidinium and 2-Hydroxyethylammonium Cations for Mesoscopic Carbon-Electrode Tin-Based Perovskite Solar Cells","ACS Energy Letters","2018","3","9","2077","","10.1021/acsenergylett.8b01046","","","0.71073","MoKα","","0.0844","0.0802","","","0.2229","0.2287","","","","","","1.296","","","","has coordinates","226187","2020-10-21","18:00:00",""
"4516201","8.235","0.002","8.12","0.002","27.528","0.007","90","","90","","90","","1840.7","0.8","100","2","99.94","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H12 Br2 N Pb0.5 -","- C4 H12 Br2 N Pb0.5 -","- C32 H96 Br16 N8 Pb4 -","8","1","","Dutta, Sumit Kumar; Dutta, Anirban; Das Adhikari, Samrat; Pradhan, Narayan","Doping Mn2+ in Single-Crystalline Layered Perovskite Microcrystals","ACS Energy Letters","2018","4","1","343","","10.1021/acsenergylett.8b02349","","","0.71073","MoKα","","0.0879","0.0807","","","0.2058","0.2093","","","","","","1.247","","","","has coordinates","226188","2020-10-21","18:00:00",""
"4516202","27.783","0.006","7.951","0.002","7.7627","0.0017","90","","90","","90","","1714.8","0.7","100","2","99.97","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C4 H12 Cl2 N Pb0.5 -","- C4 H12 Cl2 N Pb0.5 -","- C32 H96 Cl16 N8 Pb4 -","8","1","","Dutta, Sumit Kumar; Dutta, Anirban; Das Adhikari, Samrat; Pradhan, Narayan","Doping Mn2+ in Single-Crystalline Layered Perovskite Microcrystals","ACS Energy Letters","2018","4","1","343","","10.1021/acsenergylett.8b02349","","","0.71073","MoKα","","0.0397","0.0392","","","0.0988","0.0993","","","","","","1.076","","","","has coordinates","226189","2020-10-21","18:00:00",""
"4516203","8.477","0.004","9.052","0.004","26.186","0.011","90","","90","","90","","2009.4","1.5","109","2","109.05","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H12 I2 N Pb0.5 -","- C4 H12 I2 N Pb0.5 -","- C32 H96 I16 N8 Pb4 -","8","1","","Dutta, Sumit Kumar; Dutta, Anirban; Das Adhikari, Samrat; Pradhan, Narayan","Doping Mn2+ in Single-Crystalline Layered Perovskite Microcrystals","ACS Energy Letters","2018","4","1","343","","10.1021/acsenergylett.8b02349","","","0.71073","MoKα","","0.1003","0.0789","","","0.1962","0.2066","","","","","","1.121","","","","has coordinates","226190","2020-10-21","18:00:00",""
"4516204","8.2451","0.0007","8.1375","0.0007","27.463","0.003","90","","90","","90","","1842.6","0.3","116","2","116.02","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H12 Br2 N Pb0.5 -","- C4 H12 Br2 N Pb0.5 -","- C32 H96 Br16 N8 Pb4 -","8","1","","Dutta, Sumit Kumar; Dutta, Anirban; Das Adhikari, Samrat; Pradhan, Narayan","Doping Mn2+ in Single-Crystalline Layered Perovskite Microcrystals","ACS Energy Letters","2018","4","1","343","","10.1021/acsenergylett.8b02349","","","0.71073","MoKα","","0.054","0.0446","","","0.1232","0.1286","","","","","","1.233","","","","has coordinates","226191","2020-10-21","18:00:00",""
"4516205","8.396","0.003","8.966","0.003","26.188","0.008","90","","90","","90","","1971.4","1.1","100","2","100.09","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H12 I2 N Pb0.5 -","- C4 H12 I2 N Pb0.5 -","- C32 H96 I16 N8 Pb4 -","8","1","","Dutta, Sumit Kumar; Dutta, Anirban; Das Adhikari, Samrat; Pradhan, Narayan","Doping Mn2+ in Single-Crystalline Layered Perovskite Microcrystals","ACS Energy Letters","2018","4","1","343","","10.1021/acsenergylett.8b02349","","","0.71073","MoKα","","0.125","0.1123","","","0.2858","0.2913","","","","","","1.397","","","","has coordinates","226192","2020-10-21","18:00:00",""
"4516206","8.3804","0.0007","13.5963","0.0011","23.1525","0.0019","90","","93.843","0.001","90","","2632.1","0.4","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 I6 N2 Te -","- C14 I6 N2 Te -","- C56 I24 N8 Te4 -","4","1","","Ju, Dianxing; Zheng, Xiaopeng; Yin, Jun; Qiu, Zhiwen; Türedi, Bekir; Liu, Xiaolong; Dang, Yangyang; Cao, Bingqiang; Mohammed, Omar F.; Bakr, Osman M.; Tao, Xutang","Tellurium-Based Double Perovskites A2TeX6 with Tunable Band Gap and Long Carrier Diffusion Length for Optoelectronic Applications","ACS Energy Letters","2018","4","1","228","","10.1021/acsenergylett.8b02113","","","0.71073","MoKα","","0.0432","0.03","","","0.067","0.0709","","","","","","1.06","","","","has coordinates","226193","2020-10-21","18:00:00",""
"4516207","11.445","0.008","11.445","0.008","11.445","0.008","90","","90","","90","","1499.2","1.8","296","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C4 H24 Br12 N4 Te2 -","- Br12 N12 Te2 -","- Br24 N24 Te4 -","2","0.0104167","","Ju, Dianxing; Zheng, Xiaopeng; Yin, Jun; Qiu, Zhiwen; Türedi, Bekir; Liu, Xiaolong; Dang, Yangyang; Cao, Bingqiang; Mohammed, Omar F.; Bakr, Osman M.; Tao, Xutang","Tellurium-Based Double Perovskites A2TeX6 with Tunable Band Gap and Long Carrier Diffusion Length for Optoelectronic Applications","ACS Energy Letters","2018","4","1","228","","10.1021/acsenergylett.8b02113","","","0.71073","MoKα","","0.0451","0.0367","","","0.1292","0.1464","","","","","","1.095","","","","has coordinates","226194","2020-10-21","18:00:00",""
"4516208","10.744","0.009","10.744","0.009","10.744","0.009","90","","90","","90","","1240.2","1.8","296","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C H10 Br6 N2 Te -","- C2 Br6 Te -","- C8 Br24 Te4 -","4","0.0208333","","Ju, Dianxing; Zheng, Xiaopeng; Yin, Jun; Qiu, Zhiwen; Türedi, Bekir; Liu, Xiaolong; Dang, Yangyang; Cao, Bingqiang; Mohammed, Omar F.; Bakr, Osman M.; Tao, Xutang","Tellurium-Based Double Perovskites A2TeX6 with Tunable Band Gap and Long Carrier Diffusion Length for Optoelectronic Applications","ACS Energy Letters","2018","4","1","228","","10.1021/acsenergylett.8b02113","","","0.71073","MoKα","","0.0215","0.0205","","","0.059","0.0592","","","","","","1.076","","","","has coordinates","268283","2021-08-30","06:31:23",""
"4516209","12","0.004","12","0.004","12","0.004","90","","90","","90","","1728","1","296","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C H6 I6 N Te -","- I6 N2 Te -","- I24 N8 Te4 -","4","0.0208333","","Ju, Dianxing; Zheng, Xiaopeng; Yin, Jun; Qiu, Zhiwen; Türedi, Bekir; Liu, Xiaolong; Dang, Yangyang; Cao, Bingqiang; Mohammed, Omar F.; Bakr, Osman M.; Tao, Xutang","Tellurium-Based Double Perovskites A2TeX6 with Tunable Band Gap and Long Carrier Diffusion Length for Optoelectronic Applications","ACS Energy Letters","2018","4","1","228","","10.1021/acsenergylett.8b02113","","","0.71073","MoKα","","0.0252","0.0249","","","0.1148","0.1157","","","","","","1.119","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4516210","12.307","0.004","12.307","0.004","12.307","0.004","90","","90","","90","","1864","1","296","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C H10 I6 N2 Te -","- I6 N2 Te -","- I24 N8 Te4 -","4","0.0208333","","Ju, Dianxing; Zheng, Xiaopeng; Yin, Jun; Qiu, Zhiwen; Türedi, Bekir; Liu, Xiaolong; Dang, Yangyang; Cao, Bingqiang; Mohammed, Omar F.; Bakr, Osman M.; Tao, Xutang","Tellurium-Based Double Perovskites A2TeX6 with Tunable Band Gap and Long Carrier Diffusion Length for Optoelectronic Applications","ACS Energy Letters","2018","4","1","228","","10.1021/acsenergylett.8b02113","","","0.71073","MoKα","","0.0608","0.048","","","0.153","0.1766","","","","","","1.14","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4517388","9.1165","0.0008","10.8798","0.0013","13.0957","0.0015","73.946","0.01","88.38","0.008","77.43","0.009","1217.6","0.2","181","13","181","13","","","","","","","","4","P -1","-P 1","2","","","","- C27 H29 B Br2 -","- C27 H29 B Br2 -","- C54 H58 B2 Br4 -","2","1","","Ru, Chenglong; Wei, Qiuyu; Chen, Wenhao; Guan, Qiye; Zhang, Qianqian; Ling, Yuan; Tao, Chunlan; Qin, Dongdong; Wu, Jincai; Pan, Xiaobo","Tunable Conjugated Organoborane Oligomers for Visible-Light-Driven Hydrogen Evolution","ACS Energy Letters","2020","5","2","669","675","10.1021/acsenergylett.0c00075","","","0.71073","MoKα","","0.063","0.0415","","","0.0785","0.0871","","","","","","1.027","","","","has coordinates","257081","2020-10-21","18:00:00",""
"4517651","16.1983","0.0015","6.9475","0.0007","18.7656","0.0017","90","","94.386","0.003","90","","2105.7","0.3","110","2","110","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C14 H24 Fe K2 N3 O13 -","- C14 H24 Fe K2 N3 O13 -","- C56 H96 Fe4 K8 N12 O52 -","4","1","","Waters, Scott E.; Robb, Brian H.; Marshak, Michael P.","Effect of Chelation on Iron‒Chromium Redox Flow Batteries","ACS Energy Letters","2020","","","1758","1762","10.1021/acsenergylett.0c00761","","","0.71073","MoKα","","0.0359","0.0315","","","0.0768","0.0793","","","","","","1.136","","","","has coordinates","257082","2020-10-21","18:00:00",""
"4517790","8.8397","0.0007","19.7094","0.0018","8.4762","0.0006","90","","90","","90","","1476.8","0.2","296","2","296","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C H5 I2 N Pb -","- C H5 I2 N Pb -","- C8 H40 I16 N8 Pb8 -","8","0.5","","Febriansyah, Benny; Koh, Teck Ming; Rana, Prem Jyoti Singh; Hooper, Thomas J. N.; Ang, Zhi Zhong; Li, Yongxin; Bruno, Annalisa; Grätzel, Michael; England, Jason; Mhaisalkar, Subodh G.; Mathews, Nripan","Hybrid 2D [Pb(CH3NH2)I2]n Coordination Polymer Precursor for Scalable Perovskite Deposition","ACS Energy Letters","2020","","","2305","2312","10.1021/acsenergylett.0c00781","","","0.71073","MoKα","","0.0685","0.0382","","","0.0673","0.0769","","","","","","1.036","","","","has coordinates","257084","2020-10-21","18:00:00",""
"4517791","8.7746","0.0005","19.2817","0.0012","8.4744","0.0005","90","","90","","90","","1433.78","0.15","100","2","100","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C H5 I2 N Pb -","- C H5 I2 N Pb -","- C8 H40 I16 N8 Pb8 -","8","0.5","","Febriansyah, Benny; Koh, Teck Ming; Rana, Prem Jyoti Singh; Hooper, Thomas J. N.; Ang, Zhi Zhong; Li, Yongxin; Bruno, Annalisa; Grätzel, Michael; England, Jason; Mhaisalkar, Subodh G.; Mathews, Nripan","Hybrid 2D [Pb(CH3NH2)I2]n Coordination Polymer Precursor for Scalable Perovskite Deposition","ACS Energy Letters","2020","","","2305","2312","10.1021/acsenergylett.0c00781","","","0.71073","MoKα","","0.029","0.0249","","","0.0506","0.0523","","","","","","1.095","","","","has coordinates","257084","2020-10-21","18:00:00",""
"4517852","8.8821","0.0006","8.8821","0.0006","6.2698","0.0006","90","","90","","90","","494.64","0.07","200","2","200","2","","","","","","","","4","P 4/m b m","-P 4 2ab","127","","","","- C2 I6 N4 Sn2 -","- C2 I6 N4 Sn2 -","- C2 I6 N4 Sn2 -","1","0.0625","","Kahmann, Simon; Nazarenko, Olga; Shao, Shuyan; Hordiichuk, Oleh; Kepenekian, Mikaël; Even, Jacky; Kovalenko, Maksym V.; Blake, Graeme R.; Loi, Maria A.","Negative Thermal Quenching in FASnI3 Perovskite Single Crystals and Thin Films","ACS Energy Letters","2020","","","2512","2519","10.1021/acsenergylett.0c01166","","","0.71073","MoKα","","0.0442","0.042","","","0.1225","0.1233","","","","","","1.474","","","","has coordinates","257083","2020-10-21","18:00:00",""
"4517853","8.8379","0.0011","8.8379","0.0011","12.4066","0.0017","90","","90","","90","","969.1","0.2","100","2","100","2","","","","","","","","5","P 4 b m","P 4 -2ab","100","","","","- C H5 I3 N2 Sn -","- C H5 I3 N2 Sn -","- C4 H20 I12 N8 Sn4 -","4","0.5","","Kahmann, Simon; Nazarenko, Olga; Shao, Shuyan; Hordiichuk, Oleh; Kepenekian, Mikaël; Even, Jacky; Kovalenko, Maksym V.; Blake, Graeme R.; Loi, Maria A.","Negative Thermal Quenching in FASnI3 Perovskite Single Crystals and Thin Films","ACS Energy Letters","2020","","","2512","2519","10.1021/acsenergylett.0c01166","","","0.71073","MoKα","","0.0449","0.0429","","","0.1325","0.1344","","","","","","1.075","","","","has coordinates","257083","2020-10-21","18:00:00",""
"4517854","6.3074","0.0015","6.3074","0.0015","6.3074","0.0015","90","","90","","90","","250.93","0.1","298","2","298","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- I3 Mn Sn -","- I3 Mn Sn -","- I3 Mn Sn -","1","0.0208333","","Kahmann, Simon; Nazarenko, Olga; Shao, Shuyan; Hordiichuk, Oleh; Kepenekian, Mikaël; Even, Jacky; Kovalenko, Maksym V.; Blake, Graeme R.; Loi, Maria A.","Negative Thermal Quenching in FASnI3 Perovskite Single Crystals and Thin Films","ACS Energy Letters","2020","","","2512","2519","10.1021/acsenergylett.0c01166","","","0.71073","MoKα","","0.0434","0.0394","","","0.0758","0.0775","","","","","","1.251","","","","has coordinates","257083","2020-10-21","18:00:00",""
"4518386","4.559","0.003","18.958","0.005","13.781","0.003","90","","98.94","0.02","90","","1176.6","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H18 I6 N2 O2 Pb2 -","- C8 H18 I6 N2 O2 Pb2 -","- C16 H36 I12 N4 O4 Pb4 -","2","0.5","","Dučinskas, Algirdas; Kim, Gee Yeong; Moia, Davide; Senocrate, Alessandro; Wang, Ya-Ru; Hope, Michael A.; Mishra, Aditya; Kubicki, Dominik J.; Siczek, Miłosz; Bury, Wojciech; Schneeberger, Thomas; Emsley, Lyndon; Milić, Jovana V.; Maier, Joachim; Grätzel, Michael","Unravelling the Behavior of Dion‒Jacobson Layered Hybrid Perovskites in Humid Environments","ACS Energy Letters","2020","","","337","344","10.1021/acsenergylett.0c02344","","","0.71073","MoKα","","0.0145","0.0133","","","0.0295","0.0297","","","","","","1.175","","","","has coordinates","260298","2020-12-31","22:40:18",""
"4518387","4.534","0.004","6.307","0.006","10.575","0.009","102.06","0.03","101.1","0.03","95.6","0.03","287.2","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H14 I2 N2 -","- C8 H14 I2 N2 -","- C8 H14 I2 N2 -","1","0.5","","Dučinskas, Algirdas; Kim, Gee Yeong; Moia, Davide; Senocrate, Alessandro; Wang, Ya-Ru; Hope, Michael A.; Mishra, Aditya; Kubicki, Dominik J.; Siczek, Miłosz; Bury, Wojciech; Schneeberger, Thomas; Emsley, Lyndon; Milić, Jovana V.; Maier, Joachim; Grätzel, Michael","Unravelling the Behavior of Dion‒Jacobson Layered Hybrid Perovskites in Humid Environments","ACS Energy Letters","2020","","","337","344","10.1021/acsenergylett.0c02344","","","0.71073","MoKα","","0.0643","0.0619","","","0.158","0.1645","","","","","","1.118","","","","has coordinates","260300","2020-12-31","22:40:37",""
"4518482","5.0947","0.0003","6.15","0.0003","5.3209","0.0004","90","","90.528","0.005","90","","166.71","0.018","298","","298","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","LiPON","'Crystalline lithium phosphorous oxynitride'","","- Li3.6 N0.6 O3.4 P -","- Li3.68 N0.417 O3.583 P -","- Li7.36 N0.834 O7.166 P2 -","2","0.5","","López-Aranguren, Pedro; Reynaud, Marine; Głuchowski, Paweł; Bustinza, Ainhoa; Galceran, Montserrat; López del Amo, Juan Miguel; Armand, Michel; Casas-Cabanas, Montse","Crystalline LiPON as a Bulk-Type Solid Electrolyte","ACS Energy Letters","2021","","","445","450","10.1021/acsenergylett.0c02336","powder diffraction","","1.54418","ConstantWavelengthNeutronDiffraction","","","","","","","","","4.7853","","","","","","","","has coordinates","261425","2021-02-03","21:10:29",""
"4518483","5.098","0.001","6.1581","0.0013","5.3237","0.0012","90","","90.598","0.015","90","","167.12","0.06","298","","298","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","LiPON","'Crystalline lithium phosphorous oxynitride'","","- Li3.6 N0.6 O3.4 P -","- Li3.68 N0.417 O3.583 P -","- Li7.36 N0.834 O7.166 P2 -","2","0.5","","López-Aranguren, Pedro; Reynaud, Marine; Głuchowski, Paweł; Bustinza, Ainhoa; Galceran, Montserrat; López del Amo, Juan Miguel; Armand, Michel; Casas-Cabanas, Montse","Crystalline LiPON as a Bulk-Type Solid Electrolyte","ACS Energy Letters","2021","","","445","450","10.1021/acsenergylett.0c02336","powder diffraction","","","X-ray","","","","","","","","","14.0915","","","","","","","","has coordinates","261426","2021-02-03","21:10:52",""
"4518631","10.0942","0.0005","10.0942","0.0005","15.88","0.001","90","","90","","90","","1618.06","0.15","293","2","293","2","","","","","","","","4","I 4/m c m","-I 4 2c","140","","","","- Br0.67 Cs I Mn0.33 -","- Br0.666667 Cs I Mn0.333333 -","- Br8 Cs12 I12 Mn4 -","12","0.375","","Yan, Siyu; Tang, Kaixin; Lin, Yuejian; Ren, Yuanhang; Tian, Wanli; Chen, Hua; Lin, Tingting; Qiu, Longzhen; Pan, Xiaoyong; Wang, Weizhi","Light-Emitting Diodes with Manganese Halide Tetrahedron Embedded in Anti-Perovskites","ACS Energy Letters","2021","","","1901","1911","10.1021/acsenergylett.1c00250","","","0.71073","MoKα","","0.0251","0.0227","","","0.0511","0.052","","","","","","1.097","","","","has coordinates","264592","2021-04-27","21:39:48",""
"4518632","9.6044","0.0006","9.6044","0.0006","15.5668","0.0013","90","","90","","90","","1435.95","0.17","297","2","297","2","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- Br5 Cs3 Mn -","- Br5 Cs3 Mn -","- Br20 Cs12 Mn4 -","4","0.125","","Yan, Siyu; Tang, Kaixin; Lin, Yuejian; Ren, Yuanhang; Tian, Wanli; Chen, Hua; Lin, Tingting; Qiu, Longzhen; Pan, Xiaoyong; Wang, Weizhi","Light-Emitting Diodes with Manganese Halide Tetrahedron Embedded in Anti-Perovskites","ACS Energy Letters","2021","","","1901","1911","10.1021/acsenergylett.1c00250","","","1.34138","GaKα","","0.0404","0.0401","","","0.1046","0.1048","","","","","","1.029","","","","has coordinates","264593","2021-04-27","21:40:15",""
"4518633","9.1751","0.0003","9.1751","0.0003","14.8827","0.001","90","","90","","90","","1252.86","0.1","298","2","298","2","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- Cl5 Cs3 Mn -","- Cl5 Cs3 Mn -","- Cl20 Cs12 Mn4 -","4","0.125","","Yan, Siyu; Tang, Kaixin; Lin, Yuejian; Ren, Yuanhang; Tian, Wanli; Chen, Hua; Lin, Tingting; Qiu, Longzhen; Pan, Xiaoyong; Wang, Weizhi","Light-Emitting Diodes with Manganese Halide Tetrahedron Embedded in Anti-Perovskites","ACS Energy Letters","2021","","","1901","1911","10.1021/acsenergylett.1c00250","","","0.71073","MoKα","","0.1199","0.1189","","","0.3027","0.3042","","","","","","1.255","","","","has coordinates","264595","2021-04-27","21:40:37",""
"4518634","14.4125","0.0004","14.4125","0.0004","15.2106","0.0007","90","","90","","90","","3159.55","0.19","296","2","296","2","","","","","","","","4","P 4 21 2","P 4ab 2ab","90","","","","- Cl2 Cs3 I3 Mn -","- Cl2 Cs3 I3 Mn -","- Cl16 Cs24 I24 Mn8 -","8","1","","Yan, Siyu; Tang, Kaixin; Lin, Yuejian; Ren, Yuanhang; Tian, Wanli; Chen, Hua; Lin, Tingting; Qiu, Longzhen; Pan, Xiaoyong; Wang, Weizhi","Light-Emitting Diodes with Manganese Halide Tetrahedron Embedded in Anti-Perovskites","ACS Energy Letters","2021","","","1901","1911","10.1021/acsenergylett.1c00250","","","0.71073","MoKα","","0.1546","0.1385","","","0.3953","0.4101","","","","","","1.067","","","","has coordinates,has disorder","264596","2021-04-27","21:41:00",""
"4518635","9.499","0.0005","9.499","0.0005","15.089","0.0013","90","","90","","90","","1361.5","0.16","293","2","293","2","","","","","","","","4","I 4/m c m","-I 4 2c","140","","","","- Br3 Cl2 Cs3 Mn -","- Br3 Cl2 Cs3 Mn -","- Br12 Cl8 Cs12 Mn4 -","4","0.125","","Yan, Siyu; Tang, Kaixin; Lin, Yuejian; Ren, Yuanhang; Tian, Wanli; Chen, Hua; Lin, Tingting; Qiu, Longzhen; Pan, Xiaoyong; Wang, Weizhi","Light-Emitting Diodes with Manganese Halide Tetrahedron Embedded in Anti-Perovskites","ACS Energy Letters","2021","","","1901","1911","10.1021/acsenergylett.1c00250","","","0.71073","MoKα","","0.0351","0.0275","","","0.0565","0.0588","","","","","","1.113","","","","has coordinates","264597","2021-04-27","21:41:23",""
"4518636","9.466","0.0011","9.466","0.0011","14.999","0.004","90","","90","","90","","1344","0.4","298","2","298","2","","","","","","","","4","I 4/m c m","-I 4 2c","140","","","","- Br2 Cl3 Cs3 Mn -","- Br2 Cl3 Cs3 Mn -","- Br8 Cl12 Cs12 Mn4 -","4","0.125","","Yan, Siyu; Tang, Kaixin; Lin, Yuejian; Ren, Yuanhang; Tian, Wanli; Chen, Hua; Lin, Tingting; Qiu, Longzhen; Pan, Xiaoyong; Wang, Weizhi","Light-Emitting Diodes with Manganese Halide Tetrahedron Embedded in Anti-Perovskites","ACS Energy Letters","2021","","","1901","1911","10.1021/acsenergylett.1c00250","","","0.71073","MoKα","","0.0278","0.0267","","","0.0671","0.0677","","","","","","1.181","","","","has coordinates","264598","2021-04-27","21:41:47",""
"4519190","13.51533","0.00012","13.51533","0.00012","13.51533","0.00012","90","","90","","90","","2468.77","0.04","173","0.1","173","0.1","","","","","","","","7","P m -3 m","-P 4 2 3","221","","","","- C24 H75 Br17 Cu12 O14 Rb6 S12 -","- C24 H74.9988 Br16.9996 Cu12 O13.9992 Rb6 S12 -","- C24 H74.9988 Br16.9996 Cu12 O13.9992 Rb6 S12 -","1","0.0208333","","Li, Yanyan; Zhou, Zhicong; Sheong, Fu Kit; Xing, Zengshan; Lortz, Rolf; Wong, Kam Sing; Sung, Herman H. Y.; Williams, Ian D.; Halpert, Jonathan E.","Tuning the Self-Trapped Emission: Reversible Transformation to 0D Copper Clusters Permits Bright Red Emission in Potassium and Rubidium Copper Bromides","ACS Energy Letters","2021","","","4383","4389","10.1021/acsenergylett.1c01957","","x-ray","1.54184","CuKα","","0.0538","0.0508","","","0.1648","0.1688","","","","","","1.063","","","","has coordinates,has disorder","271056","2021-12-03","21:49:05",""
"4519191","13.3012","0.0003","13.3012","0.0003","13.3012","0.0003","90","","90","","90","","2353.27","0.09","173","0.1","173","0.1","","","","","","","","7","P m -3 m","-P 4 2 3","221","","","","- C24 H75 Br17 Cu12 K6 O14 S12 -","- C18 H56.9988 Br16.9996 Cu12 K6 O13.998 S8.64 -","- C18 H56.9988 Br16.9996 Cu12 K6 O13.998 S8.64 -","1","0.0208333","","Li, Yanyan; Zhou, Zhicong; Sheong, Fu Kit; Xing, Zengshan; Lortz, Rolf; Wong, Kam Sing; Sung, Herman H. Y.; Williams, Ian D.; Halpert, Jonathan E.","Tuning the Self-Trapped Emission: Reversible Transformation to 0D Copper Clusters Permits Bright Red Emission in Potassium and Rubidium Copper Bromides","ACS Energy Letters","2021","","","4383","4389","10.1021/acsenergylett.1c01957","","x-ray","1.54184","CuKα","","0.0703","0.0652","","","0.2075","0.216","","","","","","1.086","","","","has coordinates,has disorder","271057","2021-12-03","21:49:33",""
"4519261","8.9703","0.0002","10.4841","0.0003","11.6663","0.0002","107.199","0.001","95.614","0.001","103.637","0.001","1001.83","0.04","90","0.2","90","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C56 H44 N2 -","- C56 H44 N2 -","- C56 H44 N2 -","1","0.5","","Ball, Melissa L.; Burlingame, Quinn; Smith, Hannah L.; Liu, Tianran; Parkin, Sean R.; Kahn, Antoine; Loo, Yueh-Lin","Design of UV-Absorbing Donor Molecules for Nearly Imperceptible Organic Solar Cells","ACS Energy Letters","2021","","","180","188","10.1021/acsenergylett.1c02244","","","0.71073","MoKα","","0.0406","0.0334","","","0.0861","0.0898","","","","","","1.067","","","","has coordinates","271756","2022-01-03","21:57:02",""
"4519262","12.3886","0.0005","13.0511","0.0006","12.9348","0.0006","90","","117.252","0.001","90","","1859.22","0.14","90","0.2","90","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C52 H42 N2 -","- C52 H42 N2 -","- C104 H84 N4 -","2","0.5","","Ball, Melissa L.; Burlingame, Quinn; Smith, Hannah L.; Liu, Tianran; Parkin, Sean R.; Kahn, Antoine; Loo, Yueh-Lin","Design of UV-Absorbing Donor Molecules for Nearly Imperceptible Organic Solar Cells","ACS Energy Letters","2021","","","180","188","10.1021/acsenergylett.1c02244","","","0.71073","MoKα","","0.0614","0.0527","","","0.1259","0.1314","","","","","","1.072","","","","has coordinates,has disorder","271757","2022-01-03","21:57:23",""
"4519424","8.4851","0.0005","8.4851","0.0005","8.4851","0.0005","90","","90","","90","","610.9","0.06","650","","","","","","","","","","","3","I m -3 m","-I 4 2 3","229","gamma-Na4P2S6","","","- Na4 P2 S6 -","- Na3 P2 S6 -","- Na6 P4 S12 -","2","0.0208333","","Scholz, Tanja; Schneider, Christian; Terban, Maxwell W.; Deng, Zeyu; Eger, Roland; Etter, Martin; Dinnebier, Robert E.; Canepa, Pieremanuele; Lotsch, Bettina V.","Superionic Conduction in the Plastic Crystal Polymorph of Na4P2S6","ACS Energy Letters","2022","","","1403","1411","10.1021/acsenergylett.1c02815","","","","","","","","","","","","","","","","","","","","","has coordinates","274275","2022-04-03","20:25:13",""