# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-09T00:22:35+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 applied materials & interfaces') AND volume = 14 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
"4519274","53.477","0.004","8.4509","0.0006","8.4407","0.0005","90","","90","","90","","3814.6","0.5","284","2","284","2","","","","","","","","5","P m c 21","P 2c -2","26","","","","- C12 H38 Br12 N4 Pb3 -","- C12 H38 Br12 N4 Pb3 -","- C48 H152 Br48 N16 Pb12 -","4","1","","Li, Dong; Shang, Xiaoying; Wu, Wentao; Li, Xiaoqi; Xu, Zhijin; Li, Lina; Hong, Maochun; Chen, Xueyuan; Luo, Junhua","Unprecedented Self-Powered Visible-Infrared Dual-Modal Photodetection Induced by a Bulk Photovoltaic Effect in a Polar Perovskite.","ACS applied materials & interfaces","2022","14","4","5608","5614","10.1021/acsami.1c21262","","","0.71073","MoKα","","0.1231","0.0674","","","0.1703","0.207","","","","","","0.99","","","","has coordinates","272444","2022-02-03","20:01:44",""
"4519275","32.603","0.012","32.603","0.012","16.679","0.008","90","","90","","120","","15354","11","150","2","150","2","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C48 H24 Mn2 N4 O11.67 V -","- C48 H24 Mn2 N4 O11.6667 V -","- C144 H72 Mn6 N12 O35 V3 -","3","0.125","","Wang, Yefei; Zhao, Liang; Ji, Guanfeng; He, Cheng; Liu, Songtao; Duan, Chunying","Vanadium(V<sup>IV</sup>)-Porphyrin-Based Metal-Organic Frameworks for Synergistic Bimetallic Activation of Inert C(sp<sup>3</sup>)-H Bonds.","ACS applied materials & interfaces","2022","14","2","2794","2804","10.1021/acsami.1c20420","","","0.71073","MoKα","","0.1975","0.1362","","","0.2987","0.3123","","","","","","1.338","","","","has coordinates","272445","2022-02-03","20:02:18",""
"4519276","21.8128","0.0003","21.8128","0.0003","16.9894","0.0004","90","","90","","120","","7000.5","0.2","283","","283","","","","","","","","","4","P 3 m 1","P 3 -2""","156","","","","- C132 Nd4.17 O36.77 Yb5.9 -","- C132 Nd4.023 O36.5708 Yb5.647 -","- C132 Nd4.023 O36.5708 Yb5.647 -","1","0.166667","","Deneff, Jacob I.; Rohwer, Lauren E. S.; Butler, Kimberly S.; Valdez, Nichole R.; Rodriguez, Mark A.; Luk, Ting S.; Sava Gallis, Dorina F.","Covert MOF-Based Photoluminescent Tags via Tunable Linker Energetics.","ACS applied materials & interfaces","2022","14","2","3038","3047","10.1021/acsami.1c20432","","","1.54178","CuKα","","0.0957","0.0735","","","0.2067","0.2415","","","","","","1.095","","","","has coordinates,has disorder","272446","2022-02-03","20:03:14",""
"4519277","22.29","0.0006","22.29","0.0006","16.495","0.0008","90","","90","","120","","7097.5","0.4","150","","150","","","","","","","","","5","P 3 m 1","P 3 -2""","156","","","","- C132 Eu5.8 Nd3.2 O45.68 Yb0.32 -","- C132 Eu5.85 Nd3.15 O45.74 Yb0.326 -","- C132 Eu5.85 Nd3.15 O45.74 Yb0.326 -","1","0.166667","","Deneff, Jacob I.; Rohwer, Lauren E. S.; Butler, Kimberly S.; Valdez, Nichole R.; Rodriguez, Mark A.; Luk, Ting S.; Sava Gallis, Dorina F.","Covert MOF-Based Photoluminescent Tags via Tunable Linker Energetics.","ACS applied materials & interfaces","2022","14","2","3038","3047","10.1021/acsami.1c20432","","","1.54178","CuKα","","0.1149","0.0846","","","0.208","0.2375","","","","","","1.126","","","","has coordinates,has disorder","272447","2022-02-03","20:04:10",""
"4519278","22.3548","0.0006","22.3548","0.0006","16.5163","0.0007","90","","90","","120","","7148","0.4","150","","150","","","","","","","","","3","P 3 m 1","P 3 -2""","156","","Phase 1 Eu TBAP","","- C132 Eu9.09 O44.72 -","- C132 Eu9.092 O44.744 -","- C132 Eu9.092 O44.744 -","1","0.166667","","Deneff, Jacob I.; Rohwer, Lauren E. S.; Butler, Kimberly S.; Valdez, Nichole R.; Rodriguez, Mark A.; Luk, Ting S.; Sava Gallis, Dorina F.","Covert MOF-Based Photoluminescent Tags via Tunable Linker Energetics.","ACS applied materials & interfaces","2022","14","2","3038","3047","10.1021/acsami.1c20432","","","1.54178","CuKα","","0.0615","0.052","","","0.1403","0.1505","","","","","","1.073","","","","has coordinates,has disorder","272448","2022-02-03","20:05:19",""
"4519279","21.7387","0.0006","21.7387","0.0006","16.9015","0.0008","90","","90","","120","","6917.1","0.4","275","","275","","","","","","","","","3","P 3 m 1","P 3 -2""","156","","","","- C132 O45.32 Yb9.76 -","- C132 O45.326 Yb9.768 -","- C132 O45.326 Yb9.768 -","1","0.166667","","Deneff, Jacob I.; Rohwer, Lauren E. S.; Butler, Kimberly S.; Valdez, Nichole R.; Rodriguez, Mark A.; Luk, Ting S.; Sava Gallis, Dorina F.","Covert MOF-Based Photoluminescent Tags via Tunable Linker Energetics.","ACS applied materials & interfaces","2022","14","2","3038","3047","10.1021/acsami.1c20432","","","1.54178","CuKα","","0.0741","0.0605","","","0.1654","0.1835","","","","","","1.046","","","","has coordinates,has disorder","272449","2022-02-03","20:06:23",""
"4519280","11.8574","0.0005","12.9781","0.0006","17.527","0.0008","90","","90","","90","","2697.2","0.2","301","2","301","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- Cd2 Cs2 Ga8 S15 -","- Cd2 Cs2 Ga8 S15 -","- Cd8 Cs8 Ga32 S60 -","4","0.5","","Yang, Long-Qi; Jiang, Xiao-Ming; Pei, Shao-Min; Chen, Wen-Fa; Liu, Bin-Wen; Guo, Guo-Cong","Optimizing the Nonlinear Optical Performance of an A-N-M-Q (A: Alkali Metal; N: <i>d</i><sup>10</sup> Metal; M: Main Group Metal; Q: Chalcogen) System.","ACS applied materials & interfaces","2022","14","3","4352","4359","10.1021/acsami.1c23843","","","0.71073","MoKα","","0.0279","0.0257","","","0.0564","0.0569","","","","","","1.016","","","","has coordinates","272450","2022-02-03","20:06:55",""
"4519281","18.194","0.0011","18.5228","0.0011","9.8042","0.0008","90","","90","","90","","3304.1","0.4","299","2","299","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- Cd4 Ga3 Rb S9 -","- Cd4 Ga3 Rb S9 -","- Cd32 Ga24 Rb8 S72 -","8","1","","Yang, Long-Qi; Jiang, Xiao-Ming; Pei, Shao-Min; Chen, Wen-Fa; Liu, Bin-Wen; Guo, Guo-Cong","Optimizing the Nonlinear Optical Performance of an A-N-M-Q (A: Alkali Metal; N: <i>d</i><sup>10</sup> Metal; M: Main Group Metal; Q: Chalcogen) System.","ACS applied materials & interfaces","2022","14","3","4352","4359","10.1021/acsami.1c23843","","","0.71073","MoKα","","0.0312","0.03","","","0.0763","0.0767","","","","","","1.087","","","","has coordinates","272451","2022-02-03","20:07:27",""
"4519282","13.0701","0.0003","11.6218","0.0003","12.2714","0.0003","90","","90","","90","","1864","0.08","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Cd3 Ga5 K S11 -","- Cd3 Ga5 K S11 -","- Cd12 Ga20 K4 S44 -","4","1","","Yang, Long-Qi; Jiang, Xiao-Ming; Pei, Shao-Min; Chen, Wen-Fa; Liu, Bin-Wen; Guo, Guo-Cong","Optimizing the Nonlinear Optical Performance of an A-N-M-Q (A: Alkali Metal; N: <i>d</i><sup>10</sup> Metal; M: Main Group Metal; Q: Chalcogen) System.","ACS applied materials & interfaces","2022","14","3","4352","4359","10.1021/acsami.1c23843","","","0.71073","MoKα","","0.023","0.0208","","","0.0423","0.0427","","","","","","1.067","","","","has coordinates","272452","2022-02-03","20:07:49",""
"4519320","40.2698","0.001","40.2698","0.001","23.9273","0.001","90","","90","","120","","33603.4","1.8","275","","275","","","","","","","","","4","P 3","P 3","143","","","","- C138 Nd6 O64 Yb6 -","- C138 Nd6 O64 Yb6 -","- C414 Nd18 O192 Yb18 -","3","1","","Sava Gallis, Dorina F.; Butler, Kimberly S.; Pearce, Charles J.; Valdez, Nichole; Rodriguez, Mark A.","Programmable Photoluminescence via Intrinsic and DNA-Fluorophore Association in a Mixed Cluster Heterometallic MOF.","ACS applied materials & interfaces","2022","14","8","10566","10576","10.1021/acsami.1c24477","","","1.54178","CuKα","","0.1833","0.1084","","","0.3154","0.3743","","","","","","1.204","","","","has coordinates,has disorder","273230","2022-03-03","19:53:02",""
"4519321","9.314","0.005","5.943","0.003","13.344","0.008","90","","97.847","0.018","90","","731.7","0.7","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 N10 O10 -","- C6 H6 N10 O10 -","- C12 H12 N20 O20 -","2","0.5","","Zhang, Guojie; Yi, Zhenxin; Cheng, Guangbin; Yang, Wei; Yang, Hongwei","Polynitro-Functionalized Azopyrazole with High Performance and Low Sensitivity as Novel Energetic Materials.","ACS applied materials & interfaces","2022","14","8","10594","10604","10.1021/acsami.2c00154","","","0.71073","MoKα","","0.1555","0.0714","","","0.1764","0.2201","","","","","","1.035","","","","has coordinates","273231","2022-03-03","19:53:44",""
"4519322","8.998","0.0005","4.7624","0.0003","15.5601","0.001","90","","99.744","0.002","90","","657.16","0.07","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 K2 N10 O8 -","- C6 K2 N10 O8 -","- C12 K4 N20 O16 -","2","0.5","","Zhang, Guojie; Yi, Zhenxin; Cheng, Guangbin; Yang, Wei; Yang, Hongwei","Polynitro-Functionalized Azopyrazole with High Performance and Low Sensitivity as Novel Energetic Materials.","ACS applied materials & interfaces","2022","14","8","10594","10604","10.1021/acsami.2c00154","","","0.71073","MoKα","","0.0349","0.0292","","","0.0734","0.078","","","","","","1.027","","","","has coordinates","273232","2022-03-03","19:54:08",""
"4519323","8.7185","0.0004","10.9411","0.0004","18.8132","0.0007","90","","90","","90","","1794.59","0.12","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H4 N6 O6 -","- C6 H4 N6 O6 -","- C48 H32 N48 O48 -","8","1","","Zhang, Guojie; Yi, Zhenxin; Cheng, Guangbin; Yang, Wei; Yang, Hongwei","Polynitro-Functionalized Azopyrazole with High Performance and Low Sensitivity as Novel Energetic Materials.","ACS applied materials & interfaces","2022","14","8","10594","10604","10.1021/acsami.2c00154","","","0.71073","MoKα","","0.0502","0.0339","","","0.0795","0.0888","","","","","","1.043","","","","has coordinates","273233","2022-03-03","19:54:29",""
"4519324","7.1996","0.0007","10.1924","0.001","11.2601","0.0011","101.457","0.003","92.636","0.003","99.304","0.003","796.55","0.14","173","2","173","","","","","","","","","4","P -1","-P 1","2","","","","- C6 H12 N12 O10 -","- C6 H12 N12 O10 -","- C12 H24 N24 O20 -","2","1","","Zhang, Guojie; Yi, Zhenxin; Cheng, Guangbin; Yang, Wei; Yang, Hongwei","Polynitro-Functionalized Azopyrazole with High Performance and Low Sensitivity as Novel Energetic Materials.","ACS applied materials & interfaces","2022","14","8","10594","10604","10.1021/acsami.2c00154","","","0.71073","MoKα","","0.1825","0.0862","","","0.1728","0.2015","","","","","","1.059","","","","has coordinates","273234","2022-03-03","19:54:50",""
"4519325","28.5283","0.0013","28.5283","0.0013","13.6804","0.0006","90","","90","","90","","11134","0.9","298","","298","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C28 H23 N3 O9 Sr -","- C28 H23 N3 O9 Sr -","- C448 H368 N48 O144 Sr16 -","16","1","","Wang, Zhonghe; Zeng, Le; He, Cheng; Duan, Chunying","Metal-Organic Framework-Encapsulated Anthraquinone for Efficient Photocatalytic Hydrogen Atom Transfer.","ACS applied materials & interfaces","2022","14","6","7980","7989","10.1021/acsami.1c22872","","","0.71073","MoKα","","0.0759","0.0479","","","0.1155","0.1245","","","","","","1.147","","","","has coordinates","273235","2022-03-03","19:55:18",""
"4519326","10.0392","0.0001","15.8473","0.0002","18.4586","0.0002","73.212","0.001","86.207","0.001","72.155","0.001","2675.43","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H34 Ca3 N4 O24 -","- C49 H34 Ca3 N4 O24 -","- C98 H68 Ca6 N8 O48 -","2","1","","Li, Wen-Bin; Chen, Xiong-Hai; Chen, Jia-Zhe; Huang, Rong; Ye, Jia-Wen; Chen, Ling; Wang, Hai-Ping; Yang, Tao; Tang, Liu-Yan; Bai, Jie; Mo, Zong-Wen; Chen, Xiao-Ming","Photochromic Metal-Organic Framework for High-Resolution Inkless and Erasable Printing.","ACS applied materials & interfaces","2022","14","6","8458","8463","10.1021/acsami.1c23512","","","1.5478","CuKa","","0.0438","0.0405","","","0.1101","0.1126","","","","","","1.042","","","","has coordinates,has disorder","273236","2022-03-03","19:55:41",""
"4519369","17.105","0.011","28.211","0.018","15.588","0.01","90","","90","","90","","7522","8","298","2","298","2","","","","","","","","7","C m m m","-C 2 2","65","","","","- C26 H20 Cu2 F6 N8 O5 Zr -","- C26 H20 Cu2 F6 N8 O5 Zr -","- C104 H80 Cu8 F24 N32 O20 Zr4 -","4","0.25","","Wang, Huijie; Duan, Yuefeng; Wang, Ying; Huang, Yuhang; Ge, Kai; Wang, Suna; Zheng, Baishu; Wang, Zhaoxu; Bai, Junfeng; Duan, Jingui","Anion Regulates <b>scu</b> Topological Porous Coordination Polymers into the Acetylene Trap.","ACS applied materials & interfaces","2022","14","11","13550","13559","10.1021/acsami.2c01940","","","0.71073","MoKα","","0.1071","0.0811","","","0.2393","0.2589","","","","","","1.046","","","","has coordinates","274225","2022-04-03","18:52:53",""
"4519370","28.1998","0.0017","16.7324","0.001","15.648","0.001","90","","90","","90","","7383.5","0.8","296","2","296","2","","","","","","","","7","C m m m","-C 2 2","65","","","","- C26 H19 Cu2 F6 N8 O5 Ti -","- C26 H20 Cu2 F6 N8 O5 Ti -","- C104 H80 Cu8 F24 N32 O20 Ti4 -","4","0.25","","Wang, Huijie; Duan, Yuefeng; Wang, Ying; Huang, Yuhang; Ge, Kai; Wang, Suna; Zheng, Baishu; Wang, Zhaoxu; Bai, Junfeng; Duan, Jingui","Anion Regulates <b>scu</b> Topological Porous Coordination Polymers into the Acetylene Trap.","ACS applied materials & interfaces","2022","14","11","13550","13559","10.1021/acsami.2c01940","","","0.71073","MoKα","","0.055","0.0424","","","0.1451","0.1513","","","","","","1.092","","","","has coordinates","274226","2022-04-03","18:53:28",""
"4519371","28.295","0.004","16.336","","15.6802","0.0017","90","","90","","90","","7247.8","1.3","273","2","273","2","","","","","","","","7","C m m m","-C 2 2","65","","","","- C26 H20 Cu2 F6 N8 O5 Si -","- C26 H20 Cu2 F6 N8 O5 Si -","- C104 H80 Cu8 F24 N32 O20 Si4 -","4","0.25","","Wang, Huijie; Duan, Yuefeng; Wang, Ying; Huang, Yuhang; Ge, Kai; Wang, Suna; Zheng, Baishu; Wang, Zhaoxu; Bai, Junfeng; Duan, Jingui","Anion Regulates <b>scu</b> Topological Porous Coordination Polymers into the Acetylene Trap.","ACS applied materials & interfaces","2022","14","11","13550","13559","10.1021/acsami.2c01940","","","0.71073","MoKα","","0.0934","0.0531","","","0.0941","0.0973","","","","","","1.036","","","","has coordinates","274227","2022-04-03","18:54:02",""
"4519372","38.087","0.004","38.087","0.004","16.6075","0.0018","90","","90","","90","","24091","4","173","2","173","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C54 H45 N4 O15 P4 U -","- C54 H45 N4 O15 P4 U -","- C864 H720 N64 O240 P64 U16 -","16","1","","Zhao, Hongxia; Qi, Chao; Yan, Xuewu; Ji, Jinyan; Chai, Zhifang; Wang, Shuao; Zheng, Tao","A Multifunctional Porous Uranyl Phosphonate Framework for Cyclic Utilization: Salvages, Uranyl Leaking Prevention, and Fluorescent Sensing.","ACS applied materials & interfaces","2022","14","12","14380","14387","10.1021/acsami.2c01671","","","0.71073","MoKα","","0.0452","0.0352","","","0.0922","0.0982","","","","","","1.074","","","","has coordinates","274228","2022-04-03","18:54:45",""
"4519373","13.832","","12.061","","17.097","","90","","90","","90","","2852.25","","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H22 Br2 Cu N -","- C10 H22 Br2 Cu N -","- C80 H176 Br16 Cu8 N8 -","8","1","","Xu, Tingting; Li, Yunyun; Nikl, Martin; Kucerkova, Romana; Zhou, Zhengyang; Chen, Jie; Sun, Yi-Yang; Niu, Guangda; Tang, Jiang; Wang, Qian; Ren, Guohao; Wu, Yuntao","Lead-Free Zero-Dimensional Organic-Copper(I) Halides as Stable and Sensitive X-ray Scintillators.","ACS applied materials & interfaces","2022","14","12","14157","14164","10.1021/acsami.1c23839","","x-ray","0.71073","MoKα","","0.0976","0.0383","","","0.0592","0.0708","","","","","","1.025","","","","has coordinates","274229","2022-04-03","18:55:16",""
"4519374","9.3658","0.0009","18.3538","0.0014","13.6212","0.0012","90","","102.217","0.009","90","","2288.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Br2 Cu P -","- C24 H20 Br2 Cu P -","- C96 H80 Br8 Cu4 P4 -","4","1","","Xu, Tingting; Li, Yunyun; Nikl, Martin; Kucerkova, Romana; Zhou, Zhengyang; Chen, Jie; Sun, Yi-Yang; Niu, Guangda; Tang, Jiang; Wang, Qian; Ren, Guohao; Wu, Yuntao","Lead-Free Zero-Dimensional Organic-Copper(I) Halides as Stable and Sensitive X-ray Scintillators.","ACS applied materials & interfaces","2022","14","12","14157","14164","10.1021/acsami.1c23839","","","0.71073","MoKα","","0.0793","0.0399","","","0.0662","0.0775","","","","","","1.031","","","","has coordinates","274230","2022-04-03","18:55:41",""