# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-22T10:31:28+01:00
# 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 volume = 4 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
"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",""
"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",""