# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-09T14:16:30+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 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
"1518341","31.136","0.009","20.048","0.006","15.849","0.004","90","","108.347","0.005","90","","9390","5","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C88 H92 Cd3 N8 O23 -","- C80 H74 Cd3 N6 O21 -","- C320 H296 Cd12 N24 O84 -","4","0.5","","Yi, Fei-Yan; Wang, Ying; Li, Jian-Ping; Wu, Dai; Lan, Ya-Qian; Sun, Zhong-Ming","An ultrastable porous metal‒organic framework luminescent switch towards aromatic compounds","Mater. Horiz.","2015","2","2","245","","10.1039/C4MH00210E","","","0.71073","MoKα","","0.1211","0.0841","","","0.2592","0.2854","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"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",""
"1544761","17.2096","0.0002","31.3584","0.0004","50.5444","0.0006","90","","90","","90","","27277.1","0.6","173","2","173","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C142 H160 Er5 F90 N47 O100 S30 -","- C142 H160 Er5 F90 N47 O100 S30 -","- C568 H640 Er20 F360 N188 O400 S120 -","4","1","","Prodius, D.; Smetana, V.; Steinberg, S.; Wilk-Kozubek, M.; Mudryk, Y.; Pecharsky, V. K.; Mudring, A.-V.","Breaking the paradigm: record quindecim charged magnetic ionic liquids","Mater. Horiz.","2017","4","2","217","","10.1039/C6MH00468G","","","0.71073","MoKα","","0.0783","0.0613","","","0.1536","0.164","","","","","","1.016","","","","has coordinates","195193","2020-10-21","18:00:00",""
"1546185","10.664","0.01","10.664","0.01","10.664","0.01","90","","90","","90","","1213","2","213","2","213","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Ag Cl6 Cs2 Sb -","- Ag Cl6 Cs2 Sb -","- Ag4 Cl24 Cs8 Sb4 -","4","0.0208333","","Tran, T. Thao; Panella, Jessica R.; Chamorro, Juan R.; Morey, Jennifer R.; McQueen, Tyrel M.","Designing Indirect-Direct Bandgap Transitions in Double Perovskites","Mater. Horiz.","2017","","","","","10.1039/C7MH00239D","","","0.71073","MoKα","","0.0101","0.0088","","","0.0252","0.0258","","","","","","1.017","","","","has coordinates","197148","2020-10-21","18:00:00",""
"1546186","10.469","0.011","10.469","0.011","10.469","0.011","90","","90","","90","","1147","2","213","2","213","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Ag Cl6 Cs2 In -","- Ag Cl6 Cs2 In -","- Ag4 Cl24 Cs8 In4 -","4","0.0208333","","Tran, T. Thao; Panella, Jessica R.; Chamorro, Juan R.; Morey, Jennifer R.; McQueen, Tyrel M.","Designing Indirect-Direct Bandgap Transitions in Double Perovskites","Mater. Horiz.","2017","","","","","10.1039/C7MH00239D","","","0.71073","MoKα","","0.0069","0.0067","","","0.0205","0.0208","","","","","","1.44","","","","has coordinates","197148","2020-10-21","18:00:00",""
"1547541","18.576","0.004","18.576","0.004","7.3728","0.0018","90","","90","","90","","2544.1","1","100","2","100","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","","","","- C19.6 H23.4 Co N6.2 O3.2 -","- C16 H12 Co N5 O2 -","- C64 H48 Co4 N20 O8 -","4","0.25","","Basu, Tathamay; Jesche, Anton; Denysenko, Dmytro; Bredenkoetter, Bjoern; Grzywa, Maciej; Volkmer, Dirk; Loidl, Alois; Krohns, Stephan","Magnetodielectric coupling in a non-perovskite metal-organic framework","Mater. Horiz.","2017","","","","","10.1039/C7MH00716G","","","0.71073","MoKα","","0.2073","0.1652","","","0.3527","0.3728","","","","","","1.206","","","","has coordinates","201697","2020-10-21","18:00:00",""