# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-03-13T03:40:06+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 'Energy & environmental science') AND volume = 13 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
"1552936","21.2554","0.0003","5.93942","0.0001","17.7277","0.0003","90","","90.6651","0.0012","90","","2237.88","0.06","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C44 H58 N8 O13 -","- C44 H58 N8 O13 -","- C88 H116 N16 O26 -","2","0.5","","Tao, Kai; Donnell, Joseph O'; Yuan, Hui; Haq, Ehtsham U.; Guerin, Sarah; Shimon, Linda J. W.; Xue, Bin; Silien, Christophe; Cao, Yi; Thompson, Damien; Yang, Rusen; Tofail, Syed A. M.; Gazit, Ehud","Accelerated charge transfer in water-layered peptide assemblies.","Energy & environmental science","2020","13","1","96","101","10.1039/c9ee02875g","","","1.54184","CuKα","","0.0431","0.0422","","","0.1168","0.1174","","","","","","1.154","","","","has coordinates","247756","2020-10-21","18:00:00",""
"1552937","21.2","0.004","5.9359","0.0009","17.737","0.003","90","","90.692","0.005","90","","2231.9","0.7","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C44 H57 N8 O13 -","- C44 H57 N8 O13 -","- C88 H114 N16 O26 -","2","0.5","","Tao, Kai; Donnell, Joseph O'; Yuan, Hui; Haq, Ehtsham U.; Guerin, Sarah; Shimon, Linda J. W.; Xue, Bin; Silien, Christophe; Cao, Yi; Thompson, Damien; Yang, Rusen; Tofail, Syed A. M.; Gazit, Ehud","Accelerated charge transfer in water-layered peptide assemblies.","Energy & environmental science","2020","13","1","96","101","10.1039/c9ee02875g","","","0.71073","MoKα","","0.095","0.0519","","","0.0854","0.0972","","","","","","0.983","","","","has coordinates","247756","2020-10-21","18:00:00",""
"1559217","8.7795","0.0012","8.7795","0.0012","8.1964","0.0016","90","","90","","120","","547.13","0.15","153","2","153.15","","","","","","","","","3","P -3 1 c","-P 3 2c","163","","","","- C I3 Pb -","- C I3 Pb -","- C2 I6 Pb2 -","2","0.166667","","Yang, Ning; Zhu, Cheng; Chen, Yihua; Zai, Huachao; Wang, Chenyue; Wang, Xi; Wang, Hao; Ma, Sai; Gao, Ziyan; Wang, Xueyun; Hong, Jiawang; Bai, Yang; Zhou, Huanping; Cui, Bin-Bin; Chen, Qi","An in situ cross-linked 1D/3D perovskite heterostructure improves the stability of hybrid perovskite solar cells for over 3000 h operation","Energy & Environmental Science","2020","13","11","4344","4352","10.1039/D0EE01736A","","","0.71073","MoKα","","0.0974","0.0954","","","0.2868","0.2902","","","","","","1.251","","","","has coordinates","259603","2020-12-06","14:25:06",""
"1559374","13.3351","0.0004","16.6987","0.0004","17.3392","0.0003","88.307","0.002","76.712","0.002","82.866","0.002","3728.61","0.16","149.99","0.1","149.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C68 H68 Cl2 N4 O4 S2 -","- C68 H68 Cl2 N4 O4 S2 -","- C136 H136 Cl4 N8 O8 S4 -","2","1","","Li, Xiaojun; Angunawela, Indunil; Chang, Yuan; Zhou, Jiadong; Huang, He; Zhong, Lian; Liebman-Pelaez, Alex; Zhu, Chenhui; Meng, Lei; Xie, Zengqi; Ade, Harald; Yan, He; Li, Yongfang","Effect of the chlorine substitution position of the end-group on intermolecular interactions and photovoltaic performance of small molecule acceptors","Energy & Environmental Science","2020","13","12","5028","5038","10.1039/D0EE02251A","","x-ray","1.54184","CuKα","","0.1041","0.0889","","","0.274","0.2882","","","","","","1.049","","","","has coordinates","301780","2025-08-18","21:43:40",""
"1559375","13.6375","0.0006","15.398","0.0005","19.4824","0.0006","105.241","0.003","94.313","0.004","99.33","0.003","3865.1","0.3","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C82 H88 Cl2 N8 O2 S5 -","- C82 H88 Cl2 N8 O2 S5 -","- C164 H176 Cl4 N16 O4 S10 -","2","1","","Li, Xiaojun; Angunawela, Indunil; Chang, Yuan; Zhou, Jiadong; Huang, He; Zhong, Lian; Liebman-Pelaez, Alex; Zhu, Chenhui; Meng, Lei; Xie, Zengqi; Ade, Harald; Yan, He; Li, Yongfang","Effect of the chlorine substitution position of the end-group on intermolecular interactions and photovoltaic performance of small molecule acceptors","Energy & Environmental Science","2020","13","12","5028","5038","10.1039/D0EE02251A","","x-ray","1.54184","CuKα","","0.1814","0.0961","","","0.2539","0.3134","","","","","","0.986","","","","has coordinates","260796","2021-01-07","06:40:51",""
"1559376","14.699","0.002","17.173","0.003","17.727","0.002","65.789","0.014","65.996","0.013","72.836","0.014","3683.8","1","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C82 H88 Cl2 N8 O2 S5 -","- C82 H88 Cl2 N8 O2 S5 -","- C164 H176 Cl4 N16 O4 S10 -","2","1","","Li, Xiaojun; Angunawela, Indunil; Chang, Yuan; Zhou, Jiadong; Huang, He; Zhong, Lian; Liebman-Pelaez, Alex; Zhu, Chenhui; Meng, Lei; Xie, Zengqi; Ade, Harald; Yan, He; Li, Yongfang","Effect of the chlorine substitution position of the end-group on intermolecular interactions and photovoltaic performance of small molecule acceptors","Energy & Environmental Science","2020","13","12","5028","5038","10.1039/D0EE02251A","","x-ray","1.54184","CuKα","","0.3262","0.1302","","","0.322","0.4378","","","","","","0.963","","","","has coordinates","301780","2025-08-18","21:43:40",""
"1559377","14.6444","0.0012","15.9434","0.0016","17.986","0.0011","106.356","0.007","113.691","0.007","95.799","0.008","3578.6","0.6","149.99","0.1","149.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C68 H68 Cl2 N4 O4 S2 -","- C68 H68 Cl2 N4 O4 S2 -","- C136 H136 Cl4 N8 O8 S4 -","2","1","","Li, Xiaojun; Angunawela, Indunil; Chang, Yuan; Zhou, Jiadong; Huang, He; Zhong, Lian; Liebman-Pelaez, Alex; Zhu, Chenhui; Meng, Lei; Xie, Zengqi; Ade, Harald; Yan, He; Li, Yongfang","Effect of the chlorine substitution position of the end-group on intermolecular interactions and photovoltaic performance of small molecule acceptors","Energy & Environmental Science","2020","13","12","5028","5038","10.1039/D0EE02251A","","x-ray","1.54184","CuKα","","0.2605","0.2023","","","0.5001","0.5666","","","","","","1.275","","","","has coordinates","260796","2021-01-07","06:40:51",""