# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-27T04:47:02+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 'Mater. Horiz.') AND volume = 3 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
"1542561","9.1934","0.0004","13.5122","0.0005","18.2252","0.0009","76.83","0.004","75.995","0.004","86.625","0.003","2138.9","0.17","100","2","100","2","","","","","","","","3","P -1","-P 1","2","lizhen-3","THPE","","- C50 H68 O4 -","- C50 H68 O4 -","- C100 H136 O8 -","2","1","","Wang, Can; Xu, Bingjia; Li, Mengshu; Chi, Zhenguo; Xie, Yujun; Li, Qianqian; Li, Zhen","A stable tetraphenylethene derivative: aggregation-induced emission, different crystalline polymorphs, and totally different mechanoluminescence properties","Mater. Horiz.","2016","3","3","220","","10.1039/C6MH00025H","","","0.71","MoKα","","0.0957","0.088","","","0.2591","0.2673","","","","","","1.075","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1543136","7.8372","0.0002","7.8372","0.0002","20.9938","0.0007","90","","90","","120","","1116.72","0.05","297.8","0.2","297.8","0.2","","","","","","","","5","R -3 m","-R 3 2""","166","","Methylammonium potassium bismuth chloride double perovskite","","- C2 Bi Cl6 K N2 -","- C2 Bi Cl6 K N2 -","- C6 Bi3 Cl18 K3 N6 -","3","","","Wei, Fengxia; Deng, Zeyu; Sun, Shijing; Xie, Fei; Kieslich, Gregor; Evans, Donald M.; Carpenter, Michael A.; Bristowe, Paul D.; Cheetham, Anthony K.","The synthesis, structure and electronic properties of a lead-free hybrid inorganic‒organic double perovskite (MA)2KBiCl6(MA = methylammonium)","Mater. Horiz.","2016","3","4","328","","10.1039/C6MH00053C","","x-ray","0.71073","MoKα","","0.0226","0.0226","","","0.054","0.054","","","","","","1.144","","","","has coordinates","185680","2020-10-21","18:00:00",""
"1543209","8.5288","0.0011","8.7463","0.0011","9.9866","0.0014","105.144","0.007","93.192","0.007","117.597","0.008","623.53","0.16","100","","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H30 N4 S4 -","- C26 H30 N4 S4 -","- C26 H30 N4 S4 -","1","0.5","","Conboy, Gary; Spencer, Howard J.; Angioni, Enrico; Kanibolotsky, Alexander L.; Findlay, Neil J.; Coles, Simon J.; Wilson, Claire; Pitak, Mateusz B.; Risko, Chad; Coropceanu, Veaceslav; Brédas, Jean-Luc; Skabara, Peter J.","To bend or not to bend – are heteroatom interactions within conjugated molecules effective in dictating conformation and planarity?","Mater. Horiz.","2016","3","4","333","","10.1039/C6MH00051G","","","0.71075","MoKα","","0.0633","0.0453","","","0.1047","0.113","","","","","","1.05","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543210","14.575","0.019","7.664","0.009","14.393","0.019","90","","111.28","0.014","90","","1498","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 N2 O2 S2 -","- C36 H36 N2 O2 S2 -","- C72 H72 N4 O4 S4 -","2","0.5","","Conboy, Gary; Spencer, Howard J.; Angioni, Enrico; Kanibolotsky, Alexander L.; Findlay, Neil J.; Coles, Simon J.; Wilson, Claire; Pitak, Mateusz B.; Risko, Chad; Coropceanu, Veaceslav; Brédas, Jean-Luc; Skabara, Peter J.","To bend or not to bend – are heteroatom interactions within conjugated molecules effective in dictating conformation and planarity?","Mater. Horiz.","2016","3","4","333","","10.1039/C6MH00051G","","","0.6889","","","0.1514","0.1081","","","0.2753","0.3062","","","","","","1.097","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543211","15.2375","0.001","7.3024","0.0006","28.201","0.003","90","","99.461","0.007","90","","3095.3","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H36 N2 S4 -","- C36 H36 N2 S4 -","- C144 H144 N8 S16 -","4","0.5","","Conboy, Gary; Spencer, Howard J.; Angioni, Enrico; Kanibolotsky, Alexander L.; Findlay, Neil J.; Coles, Simon J.; Wilson, Claire; Pitak, Mateusz B.; Risko, Chad; Coropceanu, Veaceslav; Brédas, Jean-Luc; Skabara, Peter J.","To bend or not to bend – are heteroatom interactions within conjugated molecules effective in dictating conformation and planarity?","Mater. Horiz.","2016","3","4","333","","10.1039/C6MH00051G","","x-ray","0.6889","Synchrotron","","0.0993","0.0878","","","0.2478","0.2551","","","","","","1.142","","","","has coordinates,has disorder","301779","2025-08-18","16:06:46",""
"1543212","14.526","0.002","5.1215","0.0007","20.577","0.003","90","","109.041","0.008","90","","1447.1","0.4","100","","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 N4 O2 S2 -","- C34 H34 N4 O2 S2 -","- C68 H68 N8 O4 S4 -","2","0.5","","Conboy, Gary; Spencer, Howard J.; Angioni, Enrico; Kanibolotsky, Alexander L.; Findlay, Neil J.; Coles, Simon J.; Wilson, Claire; Pitak, Mateusz B.; Risko, Chad; Coropceanu, Veaceslav; Brédas, Jean-Luc; Skabara, Peter J.","To bend or not to bend – are heteroatom interactions within conjugated molecules effective in dictating conformation and planarity?","Mater. Horiz.","2016","3","4","333","","10.1039/C6MH00051G","","","0.71075","MoKα","","0.3045","0.145","","","0.3462","0.4364","","","","","","1.137","","","","has coordinates","301779","2025-08-18","16:06:46",""