# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-07-06T12:14:04+02:00
# 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 'Nature Materials') 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
"1533300","6.701","","6.701","","6.701","","90","","90","","90","","300.898","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","","","- Hf3 N4 -","- Hf3 N4 -","- Hf12 N16 -","4","0.0833333","","Zerr, A.; Miehe, G.; Riedel, R.","Synthesis of cubic zirconium and hafnium nitride having Th~3~P~4~ structure","Nature Materials","2003","2","3","185","189","10.1038/nmat836","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533301","6.74","","6.74","","6.74","","90","","90","","90","","306.182","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","Zr3 N4","","- N4 Zr3 -","- N4 Zr3 -","- N16 Zr12 -","4","0.0833333","","Zerr, A.; Miehe, G.; Riedel, R.","Synthesis of cubic zirconium and hafnium nitride having Th~3~P~4~ structure","Nature Materials","2003","2","3","185","189","10.1038/nmat836","","","","","","","","","","","","","","","","","","","","","has coordinates","174861","2020-10-21","18:00:00",""
"1544551","5.0365","0.0007","7.2908","0.0009","5.7491","0.0009","90","","90","","90","","211.11","0.05","","","","","","","","","","","","3","C m c m","-C 2c 2","63","AlPO4 CrVO4 structure @ 13.9 GPa","","","- Al O4 P -","- Al O4 P -","- Al4 O16 P4 -","4","0.25","","Pellicer-Porres, J.; Saitta, A.M.; Polian, A.; Itie, J.P.; Hanfland, M.","Six-fold-coordinated phosphours by oxygen in AlPO4 quartz homeotype under high pressure :Sample at 13.9 GPa","Nature Materials","2007","6","","698","702","","","","","","","","","","","","","","","","","","","","","","has coordinates","188434","2020-10-21","18:00:00",""
"1544552","3.838","0.001","2.506","0.005","4.036","0.008","90","","87.4","0.2","90","","38.78","0.11","","","","","","","","","","","","3","P 1 2/m 1","-P 2y","10","AlPO4 monoclinic CaCl2 structure @ 97.5 GPa","","","- Al O4 P -","- Al O4 P -","- Al O4 P -","1","0.25","","Pellicer-Porres, J.; Saitta, A.M.; Polian, A.; Itie, J.P.; Hanfland, M.","Six-fold-coordinated phosphours by oxygen in AlPO4 quartz homeotype under high pressure :Sample at 97.5 GPa","Nature Materials","2007","6","","698","702","","","","","","","","","","","","","","","","","","","","","","has coordinates","188435","2020-10-21","18:00:00",""
"1550332","13.61515","0.00013","13.61515","0.00013","7.67903","0.00013","90","","90","","90","","1423.48","0.03","298","2","298","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C4.32 H2.64 Ca O5 -","- C4.32 H2.64 Ca O5 -","- C34.56 H21.12 Ca8 O40 -","8","0.5","","Rui-Biao Lin; Libo Li; Hao-Long Zhou; Hui Wu; Chaohui He; Shun Li; Rajamani Krishna; Jinping Li; Wei Zhou; Banglin Chen","Molecular sieving of ethylene from ethane using a rigid metal-organic framework","Nature Materials","2018","17","","1128","1133","10.1038/s41563-018-0206-2","","","1.54184","CuKα","","0.0806","0.0747","","","0.2029","0.2211","","","","","","1.135","","","","has coordinates,has disorder","231202","2020-10-21","18:00:00",""
"1550333","13.6335","0.0007","13.6335","0.0007","7.6869","0.0018","90","","90","","90","","1428.8","0.4","298","2","298","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C4.4 H2.8 Ca O5 -","- C4.4 H2.8 Ca O5 -","- C35.2 H22.4 Ca8 O40 -","8","0.5","","Rui-Biao Lin; Libo Li; Hao-Long Zhou; Hui Wu; Chaohui He; Shun Li; Rajamani Krishna; Jinping Li; Wei Zhou; Banglin Chen","Molecular sieving of ethylene from ethane using a rigid metal-organic framework","Nature Materials","2018","17","","1128","1133","10.1038/s41563-018-0206-2","","","1.54178","CuKα","","0.0512","0.0489","","","0.1402","0.1424","","","","","","1.067","","","","has coordinates,has disorder","231202","2020-10-21","18:00:00",""
"1550334","13.6557","0.0002","13.6557","0.0002","7.7174","0.0003","90","","90","","90","","1439.13","0.06","293","2","293","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C4 H2 Ca O5 -","- C4 H2 Ca O5 -","- C32 H16 Ca8 O40 -","8","0.5","","Rui-Biao Lin; Libo Li; Hao-Long Zhou; Hui Wu; Chaohui He; Shun Li; Rajamani Krishna; Jinping Li; Wei Zhou; Banglin Chen","Molecular sieving of ethylene from ethane using a rigid metal-organic framework","Nature Materials","2018","17","","1128","1133","10.1038/s41563-018-0206-2","","","1.54178","CuKα","","0.0674","0.0649","","","0.1696","0.1702","","","","","","1.104","","","","has coordinates,has disorder","231202","2020-10-21","18:00:00",""
"1550335","13.575","0.002","13.575","0.002","7.687","0.002","90","","90","","90","","1416.6","0.5","200","2","200","2","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- C4 Ca O6 -","- C4 Ca O5.9999 -","- C32 Ca8 O47.9992 -","8","0.5","","Rui-Biao Lin; Libo Li; Hao-Long Zhou; Hui Wu; Chaohui He; Shun Li; Rajamani Krishna; Jinping Li; Wei Zhou; Banglin Chen","Molecular sieving of ethylene from ethane using a rigid metal-organic framework","Nature Materials","2018","17","","1128","1133","10.1038/s41563-018-0206-2","","","1.54178","CuKα","","0.0632","0.0632","","","0.1734","0.1734","","","","","","1.225","","","","has coordinates,has disorder","231202","2020-10-21","18:00:00",""
"1552083","22.783","0.006","6.9395","0.0018","13.581","0.004","90","","92.5935","0.0013","90","","2145","1","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- H8 Na2 O23 Si8 Sr2 -","- H8 Na2 O23 Si8 Sr2 -","- H32 Na8 O92 Si32 Sr8 -","4","0.5","","Hae-Kwon Jeong; Sankar Nair; Thomas Vogt; L Charles Dickinson; Michael Tsapatsis","A highly crystalline layered silicate with three-dimensionally microporous layers","Nature Materials","2003","2","","53","58","10.1038/nmat795","powder diffraction","","0.690911","Ka~1~","","","","","","","","","","2.79","","","","","","","has coordinates","269899","2021-10-12","14:02:44",""
"1552084","18.21","0.03","19.99","0.03","8.632","0.013","90","","100.39","0.05","90","","3091","8","223.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 N5 Ni0.5 O2.5 -","- C28 H24 N10 Ni O5 -","- C112 H96 N40 Ni4 O20 -","4","0.5","","Tapas Kumar Maj; Ryotaro Matsuda; Susumu Kitagawa","A flexible interpenetrating coordination framework with a bimodal porous functionality","Nature Materials","2007","6","","142","148","10.1038/nmat1827","","","0.7107","MoKα","","","0.0573","","","","0.0833","","","","","","1.222","","","","has coordinates","216962","2020-10-21","18:00:00",""
"1552085","18.56","0.11","19.7","0.22","8.63","0.05","90","","100.29","0.2","90","","3105","4","373.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13.5 H12 N5 Ni0.5 -","- C27 H24 N10 Ni -","- C108 H96 N40 Ni4 -","4","0.5","","Tapas Kumar Maj; Ryotaro Matsuda; Susumu Kitagawa","A flexible interpenetrating coordination framework with a bimodal porous functionality","Nature Materials","2007","6","","142","148","10.1038/nmat1827","","","0.7107","MoKα","","","0.1148","","","","0.1867","","","","","","1.692","","","","has coordinates","216963","2020-10-21","18:00:00",""
"1566635","6.37451","0.00009","6.37451","","6.37451","","90","","90","","90","","259.024","0.004","","","","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","Ice Ic","","- D2 O -","- D2 O -","- D16 O8 -","8","0.0416667","","del Rosso, L.; Celli, M.; Grazzi, F.; Catti, M.; Hansen, T. C.; Fortes, A. D.; Ulivi, L.","Cubic ice Ic without stacking defects obtained from ice XVII","Nature Materials","2020","19","","663","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273829","2022-03-20","01:24:46",""
"3000611","20.1966","0.0016","20.1966","0.0016","7.8912","0.0006","90","","90","","90","","3218.8","0.4","293","2","293","2","","","","","","","","2","I -4 2 d","I -4 2bw","122","Water","Oxidane","","- H2 O -","- O -","- O152 -","152","9.5","","Lee, Yun-Hee; Kim, Jin Kyun; Kim, Yong-Jae; Kim, Minju; Cho, Yong Chan; Husband, Rachel J.; Strohm, Cornelius; Ehrenreich-Petersen, Emma; Glazyrin, Konstantin; Laurus, Torsten; Graafsma, Heinz; Bauer, Robert P. C.; Lehmkühler, Felix; Appel, Karen; Konôpková, Zuzana; Tang, Minxue; Dwivedi, Anand Prashant; Sztuck-Dambietz, Jolanta; Randolph, Lisa; Buakor, Khachiwan; Humphries, Oliver; Baehtz, Carsten; Eklund, Tobias; Mohrbach, Lisa Katharina; Mondal, Anshuman; Marquardt, Hauke; O Bannon, Earl Francis; Amann-Winkel, Katrin; Yoo, Choong-Shik; Zastrau, Ulf; Liermann, Hanns-Peter; Nada, Hiroki; Lee, Geun Woo","Multiple freezing–melting pathways of high-density ice through ice XXI phase at room temperature","Nature Materials","2025","","","1","","10.1038/s41563-025-02364-x","","x-ray","0.2896","synchrotron","","0.1275","0.0941","","","0.2678","0.3422","","","","","","1.328","","","","has coordinates","302846","2025-10-14","02:32:36",""