property.csv

material_id,formula,space_group,space_group_number,chemsys,nelements,elements,bandgap,energy,energy_per_atom,decomposition_energy
2dm-26,AlSb3,P-3m1,164,Al-Sb,2,"Al,Sb",0.3897,-29.98785991,-3.748482489,0.365245829
2dm-34,GaSb3,P-3m1,164,Ga-Sb,2,"Ga,Sb",0.3806,-29.10028041,-3.637535051,0.297219959
2dm-40,YSi3,P6/mmm,191,Si-Y,2,"Si,Y",0,-20.48699951,-5.121749878,0.989482962
2dm-62,AgCl,P-6m2,187,Ag-Cl,2,"Ag,Cl",1.9701,-5.43444102,-2.71722051,0.05022719
2dm-65,AgF,P-6m2,187,Ag-F,2,"Ag,F",1.3263,-6.3412374,-3.1706187,0.149898315
2dm-95,TeC,Pmmn,59,C-Te,2,"C,Te",0,-18.60108251,-4.650270628,1.533047929
2dm-117,SiSe,Pmmn,59,Se-Si,2,"Se,Si",1.1633,-17.45176209,-4.362940523,0.433909185
2dm-120,YPb3,P6/mmm,191,Pb-Y,2,"Pb,Y",0,-16.20025361,-4.050063403,0.639181687
2dm-131,MoF3,P-31m,162,F-Mo,2,"F,Mo",4.3145,-45.2482876,-5.65603595,0.107337623
2dm-6371,SiTe,P3m1,156,Si-Te,2,"Si,Te",1.748,-7.98637445,-3.993187225,0.290703585
2dm-150,PbSe,Pmmn,59,Pb-Se,2,"Pb,Se",1.8485,-16.06685629,-4.016714073,0.148743957
2dm-156,CBr2,P-3m1,164,Br-C,2,"Br,C",1.4206,-8.18727496,-2.729091653,1.431658861
2dm-6372,SnSe,P3m1,156,Se-Sn,2,"Se,Sn",2.2056,-8.15663366,-4.07831683,0.104019392
2dm-183,FeI3,P-31m,162,Fe-I,2,"Fe,I",0.0576,-26.51529774,-3.314412218,0.015126018
2dm-193,As3C,P-3m1,164,As-C,2,"As,C",0.0444,-41.29832829,-5.162291036,0.637317376
2dm-242,AuI,P-6m2,187,Au-I,2,"Au,I",0.0432,-4.67013588,-2.33506794,0.137206212
2dm-244,CuF,Cmme,67,Cu-F,2,"Cu,F",1.4324,-15.71608186,-3.929020465,0.192119286
2dm-280,SnS,P3m1,156,S-Sn,2,"S,Sn",2.3127,-8.78081531,-4.390407655,0.122079843
2dm-329,BBr,Aem2,39,B-Br,2,"B,Br",2.5969,-21.86207178,-2.732758973,1.774806705
2dm-377,SnN3,P-3m1,164,N-Sn,2,"N,Sn",1.4503,-52.21972382,-6.527465478,0.439238024
2dm-407,TePb,Pmmn,59,Pb-Te,2,"Pb,Te",1.601,-14.72235511,-3.680588778,0.153107852
2dm-419,YF3,P-31m,162,F-Y,2,"F,Y",7.6204,-55.79122086,-6.973902608,0.157347067
2dm-474,AgS2,P-3m1,164,Ag-S,2,"Ag,S",0,-9.43199227,-3.143997423,0.247562921
2dm-489,CSe,Pmmn,59,C-Se,2,"C,Se",0.3053,-19.10320244,-4.77580061,1.581060087
2dm-517,WF3,P-31m,162,F-W,2,"F,W",4.1269,-45.45898994,-5.682373743,0.005777985
2dm-521,BiF3,P-3,147,Bi-F,2,"Bi,F",5.0287,-37.76161092,-4.720201365,0.117560901
2dm-544,OsF3,P-31m,162,F-Os,2,"F,Os",0.0885,-42.71924213,-5.339905266,0.389870956
2dm-6378,SiTe,Aem2,39,Si-Te,2,"Si,Te",0.6542,-16.06068726,-4.015171815,0.268718995
2dm-571,LaGe3,P6/mmm,191,Ge-La,2,"Ge,La",0,-17.43008208,-4.35752052,0.864249021
2dm-595,ZnF2,P-3m1,164,F-Zn,2,"F,Zn",4.6651,-11.74569983,-3.915233277,0.073450067
2dm-617,PbN3,P-3m1,164,N-Pb,2,"N,Pb",1.2305,-51.28638248,-6.41079781,0.482321391
2dm-629,SiTe,Pmmn,59,Si-Te,2,"Si,Te",0.744,-15.87729148,-3.96932287,0.31456794
2dm-633,Ga2O,P-3m1,164,Ga-O,2,"Ga,O",0,-12.90526958,-4.301756527,0.401291103
2dm-6383,SiSe,Aem2,39,Se-Si,2,"Se,Si",1.0097,-17.47968727,-4.369921818,0.42692789
2dm-672,AlAs3,P-3m1,164,Al-As,2,"Al,As",0.6117,-34.2806685,-4.285083563,0.38746352
2dm-722,RuF3,P-31m,162,F-Ru,2,"F,Ru",0,-41.44709449,-5.180886811,0.104333995
2dm-735,SnAs3,P-3m1,164,As-Sn,2,"As,Sn",0,-34.31518101,-4.289397626,0.241996111
2dm-781,GeTe,Pmmn,59,Ge-Te,2,"Ge,Te",1.1057,-15.4823268,-3.8705817,0.103002205
2dm-6385,TeC,P3m1,156,C-Te,2,"C,Te",1.2524,-8.87612658,-4.43806329,1.745255266
2dm-788,OsBr3,P-31m,162,Br-Os,2,"Br,Os",0.0452,-32.57679883,-4.072099854,0.06444562
2dm-803,BCl,Aem2,39,B-Cl,2,"B,Cl",2.8064,-25.20218119,-3.150272649,1.760345579
2dm-810,WCl3,P-31m,162,Cl-W,2,"Cl,W",0.7679,-41.45176555,-5.181470694,0.223103577
2dm-836,Tl2O3,P-62m,189,O-Tl,2,"O,Tl",0.9471,-20.47523237,-4.095046474,0.509851457
2dm-6388,SiSe,P3m1,156,Se-Si,2,"Se,Si",2.0882,-8.81039683,-4.405198415,0.391651292
2dm-881,TlAs3,P-3m1,164,As-Tl,2,"As,Tl",0,-30.76405468,-3.845506835,0.23984802
2dm-916,ZnCl2,P31m,157,Cl-Zn,2,"Cl,Zn",4.5393,-24.56264499,-2.729182777,0.069330897
2dm-926,Al2Se3,P-62m,189,Al-Se,2,"Al,Se",2.8606,-20.77087075,-4.15417415,0.280557108
2dm-938,ZnF2,P31m,157,F-Zn,2,"F,Zn",4.6649,-35.23619325,-3.915132583,0.07355076
2dm-6393,TlSb,P-6m2,187,Sb-Tl,2,"Sb,Tl",0,-5.42708193,-2.713540965,0.541545176
2dm-963,YC3,P-6m2,187,C-Y,2,"C,Y",0,-29.83605592,-7.45901398,1.267443436
2dm-969,V3F8,P-3m1,164,F-V,2,"F,V",0.0013,-67.12571423,-6.102337657,0.114851002
2dm-973,Sb3C,P-3m1,164,C-Sb,2,"C,Sb",0,-36.54289726,-4.567862158,0.834014294
2dm-6394,InBi,P-6m2,187,Bi-In,2,"Bi,In",0,-5.65724023,-2.828620115,0.493074662
2dm-6395,InAs,P-6m2,187,As-In,2,"As,In",0,-6.936006,-3.468003,0.46950914
2dm-990,As3Pb,P-3m1,164,As-Pb,2,"As,Pb",0.4188,-33.94261783,-4.242827229,0.179490748
2dm-1014,BI,Aem2,39,B-I,2,"B,I",0.5448,-20.32267891,-2.540334864,1.601064264
2dm-6398,GaSb,P-6m2,187,Ga-Sb,2,"Ga,Sb",0,-6.53023324,-3.26511662,0.476632125
2dm-1071,LaSi3,P6/mmm,191,La-Si,2,"La,Si",0,-18.41596169,-4.603990423,1.199740947
2dm-6400,GaP,P-6m2,187,Ga-P,2,"Ga,P",1.1919,-8.36569352,-4.18284676,0.44679645
2dm-1093,TlSb3,P-3m1,164,Sb-Tl,2,"Sb,Tl",0.0053,-27.26635581,-3.408294476,0.283129232
2dm-1096,ZnCl2,P-3m1,164,Cl-Zn,2,"Cl,Zn",4.5163,-8.18918804,-2.729729347,0.068784327
2dm-1101,FeF3,P-31m,162,F-Fe,2,"F,Fe",3.6847,-41.56164097,-5.195205121,0.075747665
2dm-1134,GaBi3,P-3m1,164,Bi-Ga,2,"Bi,Ga",0.0787,-27.16041097,-3.395051371,0.28794069
2dm-1143,CS,P3m1,156,C-S,2,"C,S",1.2335,-10.41600469,-5.208002345,1.433832548
2dm-6401,AlAs,P-6m2,187,Al-As,2,"Al,As",1.2399,-8.33498071,-4.167490355,0.519533255
2dm-1176,AlBi3,P-3m1,164,Al-Bi,2,"Al,Bi",0.0667,-27.88998495,-3.486248119,0.374461378
2dm-6402,GaBi,P-6m2,187,Bi-Ga,2,"Bi,Ga",0,-5.92078169,-2.960390845,0.507348343
2dm-6403,CSe,P3m1,156,C-Se,2,"C,Se",1.4924,-9.41913639,-4.709568195,1.647292502
2dm-1207,CS,Pmn2_1,31,C-S,2,"C,S",1.0171,-22.07180063,-5.517950158,1.123884735
2dm-6405,TlP,P-6m2,187,P-Tl,2,"P,Tl",0,-6.6057784,-3.3028892,0.600477847
2dm-6406,PdO2,P-3m1,164,O-Pd,2,"O,Pd",1.4925,-16.06761778,-5.355872593,0
2dm-1237,CCl2,P-3m1,164,C-Cl,2,"C,Cl",1.7634,-8.77117575,-2.92372525,1.505455564
2dm-6407,CSe,Aem2,39,C-Se,2,"C,Se",0.4776,-19.12863716,-4.78215929,1.574701407
2dm-1299,GaN3,P-3m1,164,Ga-N,2,"Ga,N",0,-50.01234858,-6.251543573,0.803419541
2dm-1302,CS,Pmmn,59,C-S,2,"C,S",0,-20.84569342,-5.211423355,1.430411538
2dm-1309,Bi3C,P-3m1,164,Bi-C,2,"Bi,C",0.0003,-33.8021479,-4.225268488,1.004470709
2dm-1313,Sb3Pb,P-3m1,164,Pb-Sb,2,"Pb,Sb",0,-30.37093118,-3.796366398,0.228219619
2dm-1315,Tl2Te3,P-62m,189,Te-Tl,2,"Te,Tl",0.0102,-13.71634531,-2.743269062,0.280317243
2dm-1321,BAs3,P-3m1,164,As-B,2,"As,B",0,-38.51409911,-4.814262389,0.398577311
2dm-1326,Bi3B,P-3m1,164,B-Bi,2,"B,Bi",0.0001,-30.82076248,-3.85259531,0.74072004
2dm-1341,SiBi3,P-3m1,164,Bi-Si,2,"Bi,Si",0,-30.50489957,-3.813112446,0.466912877
2dm-1344,SnBi3,P-3m1,164,Bi-Sn,2,"Bi,Sn",0,-29.42541065,-3.678176331,0.247856731
2dm-1348,BSb3,P-3m1,164,B-Sb,2,"B,Sb",0,-33.478294,-4.18478675,0.580665855
2dm-1353,GeBi3,P-3m1,164,Bi-Ge,2,"Bi,Ge",0,-30.11032797,-3.763790996,0.315579256
2dm-1378,GeN3,P-3m1,164,Ge-N,2,"Ge,N",1.5749,-53.18079147,-6.647598934,0.624492299
2dm-1386,SiSb3,P-3m1,164,Sb-Si,2,"Sb,Si",0,-32.47725654,-4.059657068,0.392505511
2dm-6411,GeS,P3m1,156,Ge-S,2,"Ge,S",2.4592,-9.15427296,-4.57713648,0.053532156
2dm-1448,Ga2S3,P-62m,189,Ga-S,2,"Ga,S",2.7454,-20.72892128,-4.145784256,0.207061033
2dm-1461,HgCl2,P-3,147,Cl-Hg,2,"Cl,Hg",2.5156,-16.96356226,-1.884840251,0.045538742
2dm-6412,TlN,P-6m2,187,N-Tl,2,"N,Tl",0.0616,-8.27939416,-4.13969708,1.020142891
2dm-1548,AgBr,P-6m2,187,Ag-Br,2,"Ag,Br",1.7543,-5.03382459,-2.516912295,0.085018235
2dm-6414,TePb,P3m1,156,Pb-Te,2,"Pb,Te",1.6202,-7.24988378,-3.62494189,0.20875474
2dm-6416,BAs,P-6m2,187,As-B,2,"As,B",0.6511,-10.60089958,-5.30044979,0.467159055
2dm-1631,B2Te3,P-62m,189,B-Te,2,"B,Te",0.9021,-20.65934134,-4.131868268,0.424991447
2dm-1652,CuI,P-6m2,187,Cu-I,2,"Cu,I",1.4754,-5.75703524,-2.87851762,0.086853157
2dm-1673,ScGe3,P6/mmm,191,Ge-Sc,2,"Ge,Sc",0,-19.07402354,-4.768505885,0.710813174
2dm-6417,BiB,P-6m2,187,B-Bi,2,"B,Bi",0,-7.97233284,-3.98616642,1.302219344
2dm-1694,PbF2,P-3m1,164,F-Pb,2,"F,Pb",3.4659,-14.23628713,-4.745429043,0.14079201
2dm-1703,B2Se3,P-62m,189,B-Se,2,"B,Se",1.4484,-23.90877204,-4.781754408,0
2dm-1727,YSn3,P6/mmm,191,Sn-Y,2,"Sn,Y",0,-17.52662434,-4.381656085,0.700763081
2dm-1771,ScPb3,P6/mmm,191,Pb-Sc,2,"Pb,Sc",0,-15.67610702,-3.919026755,0.648749396
2dm-6418,BP,P-6m2,187,B-P,2,"B,P",0.8654,-12.14630439,-6.073152195,0.380685
2dm-1782,InBi3,P-3m1,164,Bi-In,2,"Bi,In",0.1737,-26.58029724,-3.322537155,0.287432701
2dm-1805,TlP3,P-3m1,164,P-Tl,2,"P,Tl",0,-34.7481148,-4.34351435,0.327932343
2dm-6420,BSb,P-6m2,187,B-Sb,2,"B,Sb",0.2189,-9.12706237,-4.563531185,0.839612749
2dm-1825,GeSb3,P-3m1,164,Ge-Sb,2,"Ge,Sb",0,-31.58460035,-3.948075044,0.303432464
2dm-1857,GaP3,P-3m1,164,Ga-P,2,"Ga,P",0.7488,-37.52667509,-4.690834386,0.326577935
2dm-1865,InAs3,P-3m1,164,As-In,2,"As,In",0.6545,-32.16415136,-4.02051892,0.277272428
2dm-6424,InN,P-6m2,187,In-N,2,"In,N",0.5856,-10.02504407,-5.012522035,0.429415745
2dm-1877,HgF2,P-3,147,F-Hg,2,"F,Hg",1.9629,-24.44409685,-2.716010761,0.058278486
2dm-1879,P3Pb,P-3m1,164,P-Pb,2,"P,Pb",0.5306,-38.49756857,-4.812196071,0.170455063
2dm-1910,BP3,P-3m1,164,B-P,2,"B,P",0,-44.3073914,-5.538423925,0.391085388
2dm-1973,ScC3,P-6m2,187,C-Sc,2,"C,Sc",0,-29.55315319,-7.388288298,1.349881747
2dm-1991,Ge3N4,P-6m2,187,Ge-N,2,"Ge,N",1.7417,-86.0001069,-6.142864779,0.643240058
2dm-2000,OsCl3,P-31m,162,Cl-Os,2,"Cl,Os",0.1533,-35.76649331,-4.470811664,0.08131844
2dm-6429,TlAs,P-6m2,187,As-Tl,2,"As,Tl",0,-6.01500873,-3.007504365,0.50513479
2dm-6430,InP,P-6m2,187,In-P,2,"In,P",0.3417,-7.66470971,-3.832354855,0.45828453
2dm-6431,AlSb,P-6m2,187,Al-Sb,2,"Al,Sb",0.5455,-7.16516282,-3.58258141,0.51711395
2dm-2004,LaPb3,P6/mmm,191,La-Pb,2,"La,Pb",0,-15.03169956,-3.75792489,0.694327408
2dm-2017,NdSe3,P6/mmm,191,Nd-Se,2,"Nd,Se",0,-17.73568453,-4.433921133,0.596492067
2dm-2036,Cd3Cu,P6/mmm,191,Cd-Cu,2,"Cd,Cu",0,-5.20903247,-1.302258118,0.408615716
2dm-2048,Zn3Au,P6/mmm,191,Au-Zn,2,"Au,Zn",0,-6.50006485,-1.625016213,0.301755239
2dm-2056,Ge3W,P6/mmm,191,Ge-W,2,"Ge,W",0,-22.19762656,-5.54940664,1.157559544
2dm-2069,BP,P4/mbm,127,B-P,2,"B,P",0.7579,-46.22719327,-5.778399159,0.675438036
2dm-2087,SiSn,P3m1,156,Si-Sn,2,"Si,Sn",0.3168,-8.0645299,-4.03226495,0.685117017
2dm-2090,SnPb,P3m1,156,Pb-Sn,2,"Pb,Sn",0,-6.6603835,-3.33019175,0.532037093
2dm-6432,PbO2,P3m1,156,O-Pb,2,"O,Pb",1.2607,-63.31985241,-5.276654368,0.100667083
2dm-2114,Pb3N4,P3m1,156,N-Pb,2,"N,Pb",0.3201,-35.84614681,-5.120878116,1.01556038
2dm-2132,AlAs,P4/mbm,127,Al-As,2,"Al,As",1.0785,-32.22728286,-4.028410358,0.658613252
2dm-6433,PPd,P-6m2,187,P-Pd,2,"P,Pd",0,-9.66686723,-4.833433615,0.911701628
2dm-2138,Cd3As,P6/mmm,191,As-Cd,2,"As,Cd",0,-6.30475058,-1.576187645,0.336215917
2dm-6434,PtN,P-6m2,187,N-Pt,2,"N,Pt",0,-11.85462836,-5.92731418,1.077336364
2dm-2153,Hg3N,P6/mmm,191,Hg-N,2,"Hg,N",0.0438,-3.93004569,-0.982511423,1.233374462
2dm-2166,Cd3Au,P6/mmm,191,Au-Cd,2,"Au,Cd",0,-5.3546945,-1.338673625,0.297048934
2dm-2174,PrSe3,P6/mmm,191,Pr-Se,2,"Pr,Se",0,-17.7788424,-4.4447106,0.593208353
2dm-2207,InN,P4/mbm,127,In-N,2,"In,N",0.6341,-38.96131927,-4.870164909,0.571772871
2dm-6437,NiN,P-6m2,187,N-Ni,2,"N,Ni",0,-12.52717265,-6.263586325,0.644312039
2dm-2220,Sn3W,P6/mmm,191,Sn-W,2,"Sn,W",0,-19.60878173,-4.902195433,1.344759181
2dm-2249,H3Pd,P6/mmm,191,H-Pd,2,"H,Pd",0,-12.93036463,-3.232591158,0.561490033
2dm-2252,AlBi,P4/mbm,127,Al-Bi,2,"Al,Bi",0,-24.88600949,-3.110751186,0.712422871
2dm-6438,AsPt,P-6m2,187,As-Pt,2,"As,Pt",0,-9.94572686,-4.97286343,0.773443381
2dm-2266,Hg3P,P6/mmm,191,Hg-P,2,"Hg,P",0,-4.23864442,-1.059661105,0.51940209
2dm-2269,InP,P4/mbm,127,In-P,2,"In,P",0.188,-29.56365831,-3.695457289,0.595182096
2dm-2283,GaBi,P4/mbm,127,Bi-Ga,2,"Bi,Ga",0,-22.98146741,-2.872683426,0.595055761
2dm-2304,NiH3,P6/mmm,191,H-Ni,2,"H,Ni",0,-13.0018249,-3.250456225,0.679958251
2dm-6439,AsPd,P-6m2,187,As-Pd,2,"As,Pd",0,-8.83878997,-4.419394985,0.846342519
2dm-6440,GeO2,P-3m1,164,Ge-O,2,"Ge,O",3.5364,-76.1932692,-6.3494391,0.107600043
2dm-2337,GePb,P3m1,156,Ge-Pb,2,"Ge,Pb",0,-7.07264756,-3.53632378,0.632579443
2dm-2373,Cd3P,P6/mmm,191,Cd-P,2,"Cd,P",0,-6.63416528,-1.65854132,0.427255265
2dm-2377,HoSe,P4mm,99,Ho-Se,2,"Ho,Se",0,-10.02534571,-5.012672855,0.739186745
2dm-2378,HoTe,P4mm,99,Ho-Te,2,"Ho,Te",0,-8.73058722,-4.36529361,0.73854074
2dm-2379,AlSb,P4/mbm,127,Al-Sb,2,"Al,Sb",0.3377,-27.61729968,-3.45216246,0.6475329
2dm-2388,SiGe,P3m1,156,Ge-Si,2,"Ge,Si",0.0736,-8.86410408,-4.43205204,0.592004307
2dm-2390,Si3W,P6/mmm,191,Si-W,2,"Si,W",0,-25.48545899,-6.371364748,1.19499762
2dm-2391,SiPb,P3m1,156,Pb-Si,2,"Pb,Si",0.217,-7.38166104,-3.69083052,0.879382845
2dm-6442,NiP,P-6m2,187,Ni-P,2,"Ni,P",0,-10.21100634,-5.10550317,0.939882062
2dm-2403,Cd3Bi,P6/mmm,191,Bi-Cd,2,"Bi,Cd",0,-5.51569753,-1.378924383,0.281687618
2dm-2404,BSb,P4/mbm,127,B-Sb,2,"B,Sb",0.2337,-34.51962866,-4.314953583,1.088190352
2dm-2411,CuHg3,P6/mmm,191,Cu-Hg,2,"Cu,Hg",0,-3.33925281,-0.834813203,0.417777703
2dm-2412,Ge3Mo,P6/mmm,191,Ge-Mo,2,"Ge,Mo",0,-21.13628942,-5.284072355,1.019159939
2dm-2413,MoPb3,P6/mmm,191,Mo-Pb,2,"Mo,Pb",0,-16.95780977,-4.239452443,1.262428502
2dm-2423,CrSi3,P6/mmm,191,Cr-Si,2,"Cr,Si",0,-23.41155249,-5.852888123,0.906394623
2dm-2451,AgHg3,P6/mmm,191,Ag-Hg,2,"Ag,Hg",0,-2.63677633,-0.659194083,0.27650754
2dm-2474,InAs,P4/mbm,127,As-In,2,"As,In",0,-26.76033103,-3.345041379,0.592470761
2dm-2475,GaSb,P4/mbm,127,Ga-Sb,2,"Ga,Sb",0,-25.09072508,-3.136340635,0.60540811
2dm-2504,Bi2O3,Pmmn,59,Bi-O,2,"Bi,O",2.4228,-54.89878149,-5.489878149,0.262998438
2dm-2507,SnC,P-6m2,187,C-Sn,2,"C,Sn",0.9468,-10.58745119,-5.293725595,1.323084119
2dm-2517,As2O3,Pmmn,59,As-O,2,"As,O",3.0682,-58.41139813,-5.841139813,0.203075226
2dm-2537,TlAs,P4/mbm,127,As-Tl,2,"As,Tl",0,-23.40342627,-2.925428284,0.587210871
2dm-2561,Sn3N4,P3m1,156,N-Sn,2,"N,Sn",0.3953,-36.97796537,-5.282566481,0.980016531
2dm-2564,WC3,P-6m2,187,C-W,2,"C,W",0,-33.26120856,-8.31530214,1.904241956
2dm-2582,GaN,P4/mbm,127,Ga-N,2,"Ga,N",2.0405,-44.8568724,-5.60710905,0.55034499
2dm-2597,GaP,P4/mbm,127,Ga-P,2,"Ga,P",0.8737,-32.14773439,-4.018466799,0.611176411
2dm-2598,BiB,P4/mbm,127,B-Bi,2,"B,Bi",0,-30.16686419,-3.770858024,1.51752774
2dm-2621,InBi,P4/mbm,127,Bi-In,2,"Bi,In",0,-22.13236515,-2.766545644,0.555149134
2dm-2626,TlN,P4/mbm,127,N-Tl,2,"N,Tl",0,-32.41659771,-4.052074714,1.107765258
2dm-2628,CrPb3,P6/mmm,191,Cr-Pb,2,"Cr,Pb",0,-17.23318084,-4.30829521,0.887175935
2dm-2642,CrSn3,P6/mmm,191,Cr-Sn,2,"Cr,Sn",0,-18.5899261,-4.647481525,0.768742524
2dm-2654,MoC3,P-6m2,187,C-Mo,2,"C,Mo",0,-31.63675506,-7.909188765,1.763321025
2dm-2672,TlP,P4/mbm,127,P-Tl,2,"P,Tl",0,-25.60395503,-3.200494379,0.702872668
2dm-2703,CrC3,P-6m2,187,C-Cr,2,"C,Cr",0,-31.08214884,-7.77053721,1.602843597
2dm-6451,NiBi,P-6m2,187,Bi-Ni,2,"Bi,Ni",0,-7.75855037,-3.879275185,0.981419717
2dm-6453,BiPd,P-6m2,187,Bi-Pd,2,"Bi,Pd",0,-7.74858662,-3.87429331,0.986781895
2dm-2757,Zn3Ag,P6/mmm,191,Ag-Zn,2,"Ag,Zn",0,-5.39066149,-1.347665373,0.349104344
2dm-2761,Zn3N,P6/mmm,191,N-Zn,2,"N,Zn",0,-8.60454773,-2.151136933,0.811781283
2dm-2776,Zn3Sb,P6/mmm,191,Sb-Zn,2,"Sb,Zn",0,-6.41740127,-1.604350318,0.395669503
2dm-2800,Ge3N4,P-6m2,187,Ge-N,2,"Ge,N",0.8839,-38.69962134,-5.528517334,1.257587502
2dm-2803,GeC,P-6m2,187,C-Ge,2,"C,Ge",2.1289,-12.14097696,-6.07048848,0.852995614
2dm-2824,Cd3N,P6/mmm,191,Cd-N,2,"Cd,N",0,-6.70180863,-1.675452158,0.998716656
2dm-2847,TlSb,P4/mbm,127,Sb-Tl,2,"Sb,Tl",0,-21.50156279,-2.687695349,0.567390793
2dm-2865,Zn3P,P6/mmm,191,P-Zn,2,"P,Zn",0,-7.95439975,-1.988599938,0.433511954
2dm-2870,Zn3Bi,P6/mmm,191,Bi-Zn,2,"Bi,Zn",0,-5.93096559,-1.482741398,0.446439955
2dm-6455,PPt,P-6m2,187,P-Pt,2,"P,Pt",0,-11.02601201,-5.513006005,0.777977405
2dm-6456,NiSb,P-6m2,187,Ni-Sb,2,"Ni,Sb",0,-8.37333482,-4.18666741,1.03407542
2dm-2888,As4C3,P-6m2,187,As-C,2,"As,C",0.1109,-77.18718631,-5.513370451,1.101622145
2dm-6457,SbPt,P-6m2,187,Pt-Sb,2,"Pt,Sb",0,-9.30195683,-4.650978415,0.862764288
2dm-2992,GaN,P-6m2,187,Ga-N,2,"Ga,N",2.1592,-11.60658639,-5.803293195,0.354160845
2dm-3004,TiSe,P4/nmm,129,Se-Ti,2,"Se,Ti",0,-26.07226492,-6.51806623,0.303777543
2dm-3013,PbS,P3m1,156,Pb-S,2,"Pb,S",2.2287,-8.42916937,-4.214584685,0.24298514
2dm-3015,Mg2Sn,P6/mmm,191,Mg-Sn,2,"Mg,Sn",0,-6.08848143,-2.02949381,0.561459433
2dm-3017,PdS2,P2_1/c,14,Pd-S,2,"Pd,S",1.2153,-28.43622794,-4.739371323,0
2dm-3043,P,P-3m1,164,P,1,P,1.9673,-10.72331834,-5.36165917,0.043522262
2dm-3049,PdN2,Pmmm,47,N-Pd,2,"N,Pd",0,-20.84214196,-6.947380653,0.081806852
2dm-3095,Ge,P-3m1,164,Ge,1,Ge,0.0862,-8.27680384,-4.13840192,0.484344285
2dm-3096,HgNCl,Pmma,51,Cl-Hg-N,3,"Cl,Hg,N",0.1706,-14.35746872,-2.392911453,1.336257958
2dm-3119,MgCuO2,P-4m2,115,Cu-Mg-O,3,"Cu,Mg,O",0,-21.22764296,-5.30691074,0.244927488
2dm-3120,Se,Pmma,51,Se,1,Se,0,-6.63529584,-3.31764792,0.171851491
2dm-3127,SbS,P-1,2,S-Sb,2,"S,Sb",0,-16.64816771,-4.162041928,0.177069788
2dm-3139,CrSe2,P-3m1,164,Cr-Se,2,"Cr,Se",0,-17.92680284,-5.975600947,0.011621328
2dm-3144,Pb,P-3m1,164,Pb,1,Pb,0,-7.13025698,-3.56512849,0.14993175
2dm-3153,Te,Pmma,51,Te,1,Te,0,-6.03155038,-3.01577519,0.12663994
2dm-3159,CdO2,P-3m1,164,Cd-O,2,"Cd,O",0.0449,-10.78445616,-3.59481872,0.453852193
2dm-3194,ZrS2,P-3m1,164,S-Zr,2,"S,Zr",1.1262,-21.34828753,-7.116095843,0
2dm-3203,SnS2,P-3m1,164,S-Sn,2,"S,Sn",1.5738,-13.3902951,-4.4634317,0.003660653
2dm-3215,NaI,P4/mmm,123,I-Na,2,"I,Na",3.8631,-5.13776001,-2.568880005,0.12454199
2dm-3217,AgN,P4/nmm,129,Ag-N,2,"Ag,N",0,-15.37841787,-3.844604468,1.547499196
2dm-3219,EuGe3,P-6m2,187,Eu-Ge,2,"Eu,Ge",0.0682,-22.97587495,-5.743968738,0.683312174
2dm-3225,Fe(BrN)2,P2/m,10,Br-Fe-N,3,"Br,Fe,N",0,-22.74895625,-4.54979125,1.239536383
2dm-3234,Al(BiO2)2,P42_12,90,Al-Bi-O,3,"Al,Bi,O",0,-80.59864577,-5.757046126,0.538719222
2dm-3242,CdS,P3m1,156,Cd-S,2,"Cd,S",1.6772,-5.81168416,-2.90584208,0.256122795
2dm-3243,PdCl2,Pmna,53,Cl-Pd,2,"Cl,Pd",0.9214,-20.47542305,-3.412570508,0.021146803
2dm-3245,ThCo5,P6/mmm,191,Co-Th,2,"Co,Th",0,-28.63320462,-4.77220077,2.538792391
2dm-3259,Ni,P-3m1,164,Ni,1,Ni,0,-20.64270477,-5.160676193,0.620397857
2dm-3271,HgSBr,P2_1/m,11,Br-Hg-S,3,"Br,Hg,S",0,-13.00722514,-2.167870857,0.112315785
2dm-3277,ZnO,P-6m2,187,O-Zn,2,"O,Zn",1.678,-8.63766869,-4.318834345,0.231467343
2dm-3279,Sr2N,P-3m1,164,N-Sr,2,"N,Sr",0,-12.72816321,-4.24272107,0.083643146
2dm-3281,ZnBi,P3m1,156,Bi-Zn,2,"Bi,Zn",0,-3.94195053,-1.970975265,0.614560615
2dm-3287,PtSe2,P-3m1,164,Pt-Se,2,"Pt,Se",1.3516,-14.20100141,-4.733667137,0
2dm-3312,As,P-3m1,164,As,1,As,1.573,-9.2917191,-4.64585955,0
2dm-3333,CuS,P3m1,156,Cu-S,2,"Cu,S",0,-8.01031057,-4.005155285,0.306584599
2dm-3334,CeSe2,P-3m1,164,Ce-Se,2,"Ce,Se",1.1183,-17.52861483,-5.84287161,0.091180795
2dm-3338,SnS,Pmmn,59,S-Sn,2,"S,Sn",1.8758,-17.76226954,-4.440567385,0.071920113
2dm-3341,MgSn,Pmmm,47,Mg-Sn,2,"Mg,Sn",0,-4.90470651,-2.452353255,0.493211039
2dm-3352,GeS2,P-4m2,115,Ge-S,2,"Ge,S",1.4089,-13.70803154,-4.569343847,0.057421089
2dm-3356,Sb,P-3m1,164,Sb,1,Sb,1.2203,-8.06202814,-4.03101407,0.04818015
2dm-3357,Hg2GeO4,C222,21,Ge-Hg-O,3,"Ge,Hg,O",2.4807,-30.29846532,-4.328352189,0.104729409
2dm-3374,Ga2O3,P-62m,189,Ga-O,2,"Ga,O",3.1512,-27.86746735,-5.57349347,0.462205512
2dm-3393,AgClO4,P-42m,111,Ag-Cl-O,3,"Ag,Cl,O",2.9247,-24.03621476,-4.006035793,0
2dm-3403,Sn3F8,P2_1/c,14,F-Sn,2,"F,Sn",3.3405,-106.3585162,-4.834478007,0.015888842
2dm-3404,P,Pmna,53,P,1,P,0.8524,-21.45067518,-5.362668795,0.042512637
2dm-3424,GeS,Pmn2_1,31,Ge-S,2,"Ge,S",1.7197,-18.38480216,-4.59620054,0.029559713
2dm-3427,Cr3N2,C2,5,Cr-N,2,"Cr,N",0,-42.7895198,-8.55790396,0.98531108
2dm-3432,NiCl2,P-3m1,164,Cl-Ni,2,"Cl,Ni",0.8106,-11.22517261,-3.741724203,0
2dm-3441,NiTe2,P-3m1,164,Ni-Te,2,"Ni,Te",0,-12.50581373,-4.168604577,0.054158792
2dm-3447,As,Pmna,53,As,1,As,0.6292,-18.44149911,-4.610374778,0.047695778
2dm-3458,RhCl3,P-31m,162,Cl-Rh,2,"Cl,Rh",1.7378,-30.71501585,-3.839376981,0
2dm-3467,TeRhCl,P2_1/m,11,Cl-Rh-Te,3,"Cl,Rh,Te",1.1188,-27.81439149,-4.635731915,0
2dm-3485,CdCl2,P-3m1,164,Cd-Cl,2,"Cd,Cl",3.9477,-7.86727748,-2.622425827,0
2dm-3488,Se2O5,P2_1/c,14,O-Se,2,"O,Se",2.991,-141.3738655,-5.049066626,0
2dm-3491,Au2Se2O7,Pba2,32,Au-O-Se,3,"Au,O,Se",1.1555,-104.9439309,-4.770178677,0.031644084
2dm-3505,Mn2NiO6,P-31m,162,Mn-Ni-O,3,"Mn,Ni,O",1.4542,-56.25632104,-6.250702338,0.070592696
2dm-3561,PbO,P4/nmm,129,O-Pb,2,"O,Pb",2.6194,-21.76570874,-5.441427185,0.013123118
2dm-3564,Ce2O3,P321,150,Ce-O,2,"Ce,O",0,-39.32041199,-7.864082398,0.826249978
2dm-3577,In2O3,P321,150,In-O,2,"In,O",1.9228,-24.65059964,-4.930119928,0.72404262
2dm-3618,RhBr3,P-31m,162,Br-Rh,2,"Br,Rh",1.4985,-28.03521218,-3.504401523,0
2dm-3629,SnO,P4/nmm,129,O-Sn,2,"O,Sn",3.0232,-22.90722277,-5.726805693,0.03770611
2dm-3654,SnS,Pmn2_1,31,S-Sn,2,"S,Sn",1.5596,-17.85828325,-4.464570813,0.031040833
2dm-3663,IrBr3,P-31m,162,Br-Ir,2,"Br,Ir",1.8151,-29.84845049,-3.731056311,0
2dm-3669,PbO,Pbcm,57,O-Pb,2,"O,Pb",2.6469,-43.42062348,-5.427577935,0.026986315
2dm-3729,Ca2N,P-3m1,164,Ca-N,2,"Ca,N",0,-13.910567,-4.636855667,0.139027825
2dm-3737,Bi,P-3m1,164,Bi,1,Bi,0.5565,-7.52033399,-3.760166995,0.077261805
2dm-3763,ZrNCl,P3m1,156,Cl-N-Zr,3,"Cl,N,Zr",3.1782,-23.33752194,-7.77917398,0.23049924
2dm-3768,CrBr3,P-31m,162,Br-Cr,2,"Br,Cr",1.4036,-35.47247118,-4.434058898,0
2dm-3771,As2O3,P2_1,4,As-O,2,"As,O",3.9015,-60.33798983,-6.033798983,0.003876988
2dm-3776,IrCl3,P-31m,162,Cl-Ir,2,"Cl,Ir",2.134,-32.64252806,-4.080316008,0.001620639
2dm-3796,B2S3,P-62m,189,B-S,2,"B,S",1.8595,-27.39841972,-5.479683944,0.097466805
2dm-3834,HfS2,P-3m1,164,Hf-S,2,"Hf,S",1.3021,-22.94967973,-7.649893243,0
2dm-3888,CrSbO4,P2/m,10,Cr-O-Sb,3,"Cr,O,Sb",2.1239,-40.72074322,-6.786790537,0.117876215
2dm-3891,Mn(CoO3)2,P-31m,162,Co-Mn-O,3,"Co,Mn,O",0,-52.41074585,-5.823416206,0.35526144
2dm-3948,TiCo3O8,P-3m1,164,Co-O-Ti,3,"Co,O,Ti",0.0677,-74.83557605,-6.236298004,0.285982952
2dm-3954,Mn3SbO8,C2/m,12,Mn-O-Sb,3,"Mn,O,Sb",0,-81.86054502,-6.821712085,0.094624682
2dm-3968,Bi2O3,Pm,6,Bi-O,2,"Bi,O",2.3691,-27.95002064,-5.590004128,0.162872459
2dm-3977,GeTe,P3m1,156,Ge-Te,2,"Ge,Te",1.7502,-7.76383923,-3.881919615,0.07561664
2dm-3993,C,P6/mmm,191,C,1,C,0.0001,-18.44060247,-9.220301235,0.00212963
2dm-3997,CoTeO4,P2/m,10,Co-O-Te,3,"Co,O,Te",1.0547,-33.64849482,-5.60808247,0.029202426
2dm-4071,Zn2Co3O8,P2/m,10,Co-O-Zn,3,"Co,O,Zn",0.0015,-66.88455561,-5.144965816,0.21599149
2dm-4084,Cr3O8,P-3m1,164,Cr-O,2,"Cr,O",0,-71.40956607,-6.491778734,0.379113591
2dm-4089,SbO2,P2_1/m,11,O-Sb,2,"O,Sb",2.8347,-71.64115476,-5.97009623,0.08243778
2dm-4108,Zn2Cr3O8,P2/m,10,Cr-O-Zn,3,"Cr,O,Zn",0.6059,-82.56446859,-6.351112968,0.220876993
2dm-4116,MnCoO4,P2/m,10,Co-Mn-O,3,"Co,Mn,O",0,-37.46323496,-6.243872493,0.171517567
2dm-4136,PtS2,P-3m1,164,Pt-S,2,"Pt,S",1.8227,-15.36220707,-5.12073569,0
2dm-4151,LiVF4,Pmma,51,F-Li-V,3,"F,Li,V",2.1677,-66.74450554,-5.562042128,0.165813909
2dm-4156,FeCoO4,P2/m,10,Co-Fe-O,3,"Co,Fe,O",0,-35.17659353,-5.862765588,0.141314074
2dm-4198,FeF4,Pc,7,F-Fe,2,"F,Fe",1.5476,-43.47641843,-4.347641843,0.153230413
2dm-4217,Li2VF6,P-3m1,164,F-Li-V,3,"F,Li,V",1.9943,-47.60874536,-5.289860596,0.068618334
2dm-4233,Fe3OF7,P3m1,156,F-Fe-O,3,"F,Fe,O",2.7605,-59.14584818,-5.376895289,0.113131352
2dm-4272,CoO2,P-3m1,164,Co-O,2,"Co,O",0,-16.19505968,-5.398353227,0.306899589
2dm-4305,Ag2S,P2_1,4,Ag-S,2,"Ag,S",1.687,-19.78570342,-3.297617237,0.021084917
2dm-4321,HAuO2,P2/m,10,Au-H-O,3,"Au,H,O",1.3863,-18.07204367,-4.518010918,0.040101401
2dm-4324,CoS2,P-3m1,164,Co-S,2,"Co,S",0,-16.03443805,-5.344812683,0.121414478
2dm-4334,CuAgO2,P2/m,10,Ag-Cu-O,3,"Ag,Cu,O",0,-18.04658726,-4.511646815,0.073138595
2dm-4342,CrF2,P2_1/c,14,Cr-F,2,"Cr,F",3.0559,-37.4886167,-6.248102783,0
2dm-4352,TiMn3O8,P-3m1,164,Mn-O-Ti,3,"Mn,O,Ti",1.6959,-90.15061201,-7.512551001,0.074935822
2dm-4362,HoS,P4mm,99,Ho-S,2,"Ho,S",0,-11.09702358,-5.54851179,0.778771085
2dm-4367,Mn3CrO8,P-3m1,164,Cr-Mn-O,3,"Cr,Mn,O",0.9251,-85.70574967,-7.142145806,0.05665772
2dm-4378,TiO2,P2_1/m,11,O-Ti,2,"O,Ti",2.671,-105.8851095,-8.823759123,0.149606255
2dm-4393,S(IN)2,P-1,2,I-N-S,3,"I,N,S",1.5517,-82.13093696,-4.106546848,0.44758753
2dm-4405,Hg3As,P6/mmm,191,As-Hg,2,"As,Hg",0,-4.03539802,-1.008849505,0.383435971
2dm-4435,TlBrO3,P3m1,156,Br-O-Tl,3,"Br,O,Tl",3.3997,-19.10808071,-3.821616142,0.18094854
2dm-4463,Mo3O8,Cm,8,Mo-O,2,"Mo,O",1.2461,-75.65904988,-6.878095444,0.260799976
2dm-4477,InSiTe3,P3,143,In-Si-Te,3,"In,Si,Te",0,-16.85474467,-3.370948934,0.355400788
2dm-4487,RuCl3,P-31m,162,Cl-Ru,2,"Cl,Ru",0.0031,-33.65669175,-4.207086469,0.033251153
2dm-4489,H3Pt,P6/mmm,191,H-Pt,2,"H,Pt",0,-14.10653243,-3.526633108,0.417376614
2dm-4492,BiO2,P2_1/m,11,Bi-O,2,"Bi,O",0.654,-65.08285141,-5.423570951,0.171571814
2dm-4494,CuO2,Pmmm,47,Cu-O,2,"Cu,O",0,-11.76206362,-3.920687873,0.970334366
2dm-4517,Cu2WS4,P-42m,111,Cu-S-W,3,"Cu,S,W",1.5945,-40.87849306,-5.839784723,0.006873606
2dm-4553,W3O8,P-3m1,164,O-W,2,"O,W",1.6563,-79.70491072,-7.245900975,0.324611937
2dm-4566,Bi,Pmma,51,Bi,1,Bi,0,-6.66232654,-3.33116327,0.567081665
2dm-4583,BeCrO4,Pc,7,Be-Cr-O,3,"Be,Cr,O",2.5152,-80.67940036,-6.723283363,0.078466902
2dm-4590,CuTeO4,P2/m,10,Cu-O-Te,3,"Cu,O,Te",0,-31.47394485,-5.245657475,0.025026947
2dm-4602,Cr(CoO3)2,P-31m,162,Co-Cr-O,3,"Co,Cr,O",0,-54.11132749,-6.012369721,0.270382355
2dm-4681,PrS3,P6/mmm,191,Pr-S,2,"Pr,S",0,-19.30333434,-4.825833585,0.605522443
2dm-4693,FeCo3O8,P-3m1,164,Co-Fe-O,3,"Co,Fe,O",0,-69.26270659,-5.771892216,0.082774023
2dm-4698,NdS3,P6/mmm,191,Nd-S,2,"Nd,S",0,-19.29732423,-4.824331058,0.604782278
2dm-4700,Si3Mo,P6/mmm,191,Mo-Si,2,"Mo,Si",0,-24.27151645,-6.067879113,1.086031395
2dm-4713,ZnCl2,P-4m2,115,Cl-Zn,2,"Cl,Zn",4.3187,-8.37192011,-2.790640037,0.007873637
2dm-4738,LiFeF4,P-42m,111,F-Fe-Li,3,"F,Fe,Li",4.1101,-30.00944314,-5.001573857,0.145673624
2dm-4750,AgNO3,P-6,174,Ag-N-O,3,"Ag,N,O",2.3217,-27.23556196,-5.447112392,0.017878824
2dm-4757,Fe(CoO3)2,P-31m,162,Co-Fe-O,3,"Co,Fe,O",0.2523,-52.15684321,-5.795204801,0.109265912
2dm-4801,SnSe,Pmmn,59,Se-Sn,2,"Se,Sn",1.588,-16.40573934,-4.101434835,0.080901387
2dm-4803,Hg3(BO3)2,P321,150,B-Hg-O,3,"B,Hg,O",3.4067,-57.49536724,-5.226851567,0.036710915
2dm-4821,As2S3,Pc,7,As-S,2,"As,S",2.1307,-44.59215636,-4.459215636,0
2dm-4824,LiSnCl3,P3,143,Cl-Li-Sn,3,"Cl,Li,Sn",4.401,-17.59166933,-3.518333866,0.093906382
2dm-4834,CuO2,P-3m1,164,Cu-O,2,"Cu,O",0,-28.3628906,-4.727148433,0.163873806
2dm-4842,As3HO6,P2_1,4,As-H-O,3,"As,H,O",3.8283,-117.2378725,-5.861893625,0
2dm-4863,NiTeO4,P2/m,10,Ni-O-Te,3,"Ni,O,Te",1.514,-31.06228157,-5.177046928,0.050393455
2dm-4876,SbO2,P-3m1,164,O-Sb,2,"O,Sb",0,-16.98068144,-5.660227147,0.392306863
2dm-4884,Co3TeO8,P-3m1,164,Co-O-Te,3,"Co,O,Te",0,-66.68229099,-5.556857583,0.12923042
2dm-4906,SnGe,P3m1,156,Ge-Sn,2,"Ge,Sn",0.2159,-7.64691464,-3.82345732,0.492614505
2dm-4915,WO2,C2/m,12,O-W,2,"O,W",1.9476,-89.81601944,-7.484668287,0.239220955
2dm-4919,Co3NiO8,P-3m1,164,Co-Ni-O,3,"Co,Ni,O",1.3041,-64.91085031,-5.409237526,0.036543182
2dm-4940,LiVF4,P2/m,10,F-Li-V,3,"F,Li,V",2.2347,-33.92273062,-5.653788437,0.074067601
2dm-4960,Sb3Pb,P-6m2,187,Pb-Sb,2,"Pb,Sb",0,-13.59250903,-3.398127258,0.626458759
2dm-4961,AgBrO4,P-4,81,Ag-Br-O,3,"Ag,Br,O",1.4662,-22.49971867,-3.749953112,0.065461762
2dm-4993,Mn3F8,P-1,2,F-Mn,2,"F,Mn",1.0168,-64.14907984,-5.831734531,0.07851867
2dm-5004,CuHO2,P2/m,10,Cu-H-O,3,"Cu,H,O",0.787,-19.82794989,-4.956987473,0.042775933
2dm-5057,Mn3CoO8,P-3m1,164,Co-Mn-O,3,"Co,Mn,O",1.171,-80.88765318,-6.740637765,0.029820917
2dm-5067,Bi2PdO4,P42_12,90,Bi-O-Pd,3,"Bi,O,Pd",0.492,-73.3662252,-5.240444657,0.442055358
2dm-5070,Mg(SbO2)2,Pbcm,57,Mg-O-Sb,3,"Mg,O,Sb",3.115,-162.376026,-5.799143784,0.212659615
2dm-5100,Zn2Sn3O8,P2/m,10,O-Sn-Zn,3,"O,Sn,Zn",2.1774,-72.7244237,-5.594186438,0.156007398
2dm-5115,Np(OF)2,P2/m,10,F-Np-O,3,"F,Np,O",0,-38.73892209,-7.747784418,0.52206799
2dm-5116,SnSe,Pmn2_1,31,Se-Sn,2,"Se,Sn",1.1474,-16.53055096,-4.13263774,0.04587069
2dm-5117,CrCo3O8,P-3m1,164,Co-Cr-O,3,"Co,Cr,O",0,-70.87828567,-5.906523806,0.231853455
2dm-5126,SnO2,P-3m1,164,O-Sn,2,"O,Sn",2.6195,-18.37378736,-6.124595787,0.15888345
2dm-5146,TlAsO4,P-42m,111,As-O-Tl,3,"As,O,Tl",1.4709,-32.08001015,-5.346668358,0.031656914
2dm-5149,Li2Mn3F8,P-3m1,164,F-Li-Mn,3,"F,Li,Mn",3.8441,-75.95527717,-5.842713628,0.097674571
2dm-5160,SbO2,P2_1/m,11,O-Sb,2,"O,Sb",1.437,-70.867204,-5.905600333,0.146933677
2dm-5161,BiO2,P-3m1,164,Bi-O,2,"Bi,O",0,-16.12925841,-5.37641947,0.218723295
2dm-5164,Mn3VO8,P-3m1,164,Mn-O-V,3,"Mn,O,V",0,-86.47443828,-7.20620319,0.113257409
2dm-5185,Mn(CO3)2,P2_1/c,14,C-Mn-O,3,"C,Mn,O",1.4049,-133.2211244,-7.401173577,0.094401702
2dm-5186,Co3SbO8,P-3m1,164,Co-O-Sb,3,"Co,O,Sb",0,-67.7189553,-5.643246275,0.233246287
2dm-5194,Li2MnF6,P-3m1,164,F-Li-Mn,3,"F,Li,Mn",3.1103,-45.07433765,-5.008259739,0.072193133
2dm-5195,Be2Te7Cl6,P2/m,10,Be-Cl-Te,3,"Be,Cl,Te",1.3979,-50.08697278,-3.339131519,0.037209021
2dm-5199,U(OF)2,P2/m,10,F-O-U,3,"F,O,U",2.0707,-40.33544719,-8.067089438,0.141737892
2dm-5205,LiVF6,Cm,8,F-Li-V,3,"F,Li,V",3.3609,-41.2399122,-5.154989025,0.063487971
2dm-5216,SbN,Pmn2_1,31,N-Sb,2,"N,Sb",1.854,-23.28071027,-5.820177568,0.219939164
2dm-5219,LiCu2F5,Pmm2,25,Cu-F-Li,3,"Cu,F,Li",0,-33.10237471,-4.137796839,0.169805243
2dm-5244,Cu(BiO2)2,P42_12,90,Bi-Cu-O,3,"Bi,Cu,O",0.0647,-71.94250696,-5.138750497,0.433205834
2dm-5253,Mn3CuO8,P-3m1,164,Cu-Mn-O,3,"Cu,Mn,O",0.0067,-78.06566076,-6.50547173,0.061429308
2dm-5275,MnCo3O8,P-3m1,164,Co-Mn-O,3,"Co,Mn,O",0,-69.85054091,-5.820878409,0.239443029
2dm-5305,Te,P4/mmm,123,Te,1,Te,0,-5.94221052,-2.97110526,0.17130987
2dm-5311,Co(CO3)2,P2_1/c,14,C-Co-O,3,"C,Co,O",0.7122,-124.3046287,-6.905812704,0.116337746
2dm-5338,Zn2Fe3O8,P2/m,10,Fe-O-Zn,3,"Fe,O,Zn",0,-71.9478467,-5.534449746,0.254779473
2dm-5365,Mn(CuCl2)2,Pmm2,25,Cl-Cu-Mn,3,"Cl,Cu,Mn",0.9825,-29.16951527,-4.16707361,0.046008693
2dm-5390,InS,P2_1/c,14,In-S,2,"In,S",1.8875,-28.73495578,-3.591869473,0.343702596
2dm-5395,CaSnS3,Pmm2,25,Ca-S-Sn,3,"Ca,S,Sn",0.2912,-20.37161855,-4.07432371,0.695797178
2dm-5419,Cd2SiO4,C222,21,Cd-O-Si,3,"Cd,O,Si",2.319,-36.93086188,-5.275837411,0.417388519
2dm-5465,SnCCl3,P3m1,156,C-Cl-Sn,3,"C,Cl,Sn",0.0307,-16.09787775,-3.21957555,1.299519272
2dm-5483,H5W,Pmma,51,H-W,2,"H,W",0,-56.06262201,-4.671885168,0.18783307
2dm-5492,MnSbO4,P2/m,10,Mn-O-Sb,3,"Mn,O,Sb",1.3221,-39.7562419,-6.626040317,0.081105912
2dm-5501,Li2WS4,P-42m,111,Li-S-W,3,"Li,S,W",2.2883,-39.24506113,-5.606437304,0.038121747
2dm-5506,TiTl2F6,P-3m1,164,F-Ti-Tl,3,"F,Ti,Tl",3.8512,-48.50885248,-5.389872498,0
2dm-5509,NiS2,P-3m1,164,Ni-S,2,"Ni,S",0.5622,-14.66791179,-4.88930393,0.032369501
2dm-5515,Zn2Ni3O8,P2/m,10,Ni-O-Zn,3,"Ni,O,Zn",0.9456,-57.61140064,-4.431646203,0.220740859
2dm-5519,InPF3,P3,143,F-In-P,3,"F,In,P",1.4275,-20.46120887,-4.092241774,0.675624295
2dm-5523,FeS,P4/nmm,129,Fe-S,2,"Fe,S",0,-27.21970355,-6.804925888,0
2dm-5533,YbBi2,Pmm2,25,Bi-Yb,2,"Bi,Yb",0.3294,-9.83453583,-3.27817861,0
2dm-5548,SnClF,P2_1/m,11,Cl-F-Sn,3,"Cl,F,Sn",3.8708,-25.29824706,-4.21637451,0.002339136
2dm-5552,ScSn3,P6/mmm,191,Sc-Sn,2,"Sc,Sn",0,-17.08819498,-4.272048745,0.668126135
2dm-5601,Sb2O3,Pmmn,59,O-Sb,2,"O,Sb",2.5275,-57.62801148,-5.762801148,0.194812692
2dm-5633,AcSe3,P6/mmm,191,Ac-Se,2,"Ac,Se",0,-17.58251368,-4.39562842,0
2dm-5854,HfFeCl6,P312,149,Cl-Fe-Hf,3,"Cl,Fe,Hf",0.0945,-40.65717221,-5.082146526,0.018204873
2dm-5934,Si,P-3m1,164,Si,1,Si,0.0003,-9.5671491,-4.78357455,0.64179194
2dm-5936,N2,Pmma,51,N,1,N,2.9697,-6.23737306,-3.11868653,8.88E-16
2dm-5941,Sn,P-3m1,164,Sn,1,Sn,0.0008,-7.09817254,-3.54908627,0.460311175
2dm-5942,Se,P4/mmm,123,Se,1,Se,0,-6.5795125,-3.28975625,0.199743161
2dm-5943,Pb,P-3m1,164,Pb,1,Pb,0,-6.26210674,-3.13105337,0.58400687
2dm-5946,N2,P-3m1,164,N,1,N,3.811,-13.36145602,-6.68072801,8.88E-16
2dm-5947,Cl2,Pbam,55,Cl,1,Cl,2.3431,-7.30696921,-1.826742303,0
2dm-5950,Sn,P-3m1,164,Sn,1,Sn,0,-7.67762117,-3.838810585,0.17058686
2dm-5952,Pd,P-3m1,164,Pd,1,Pd,0,-18.66123092,-4.66530773,0.51731041
2dm-5957,S,P2/m,10,S,1,S,0,-7.75344049,-3.876720245,0.251158291
2dm-5959,P,P2_1/m,11,P,1,P,0.1078,-20.93453555,-5.233633888,0.171547544
2dm-5961,Ba,P4/mmm,123,Ba,1,Ba,0,-2.08990142,-1.04495071,0.87964295
2dm-5967,B,Pmma,51,B,1,B,0,-12.02181533,-6.010907665,0.667618928
2dm-5968,Si,P-3m1,164,Si,1,Si,0,-9.40873195,-4.704365975,0.721000515
2dm-5971,S,P4/mmm,123,S,1,S,0,-7.22775888,-3.61387944,0.513999096
2dm-5976,Pt,P-3m1,164,Pt,1,Pt,0,-22.02549615,-5.506374038,0.550454863
2dm-5978,F2,Pbam,55,F,1,F,2.8545,-7.48737397,-1.871843493,0
2dm-5979,N2,Pmna,53,N,1,N,0,-29.09701107,-7.274252768,8.88E-16
2dm-5980,Be,P4/mmm,123,Be,1,Be,0,-5.18461072,-2.59230536,1.150305075
2dm-5982,Si,P6/mmm,191,Si,1,Si,0.0001,-9.53007309,-4.765036545,0.660329945
2dm-5986,Sn,P6/mmm,191,Sn,1,Sn,0,-6.83110197,-3.415550985,0.59384646
2dm-5991,SeN,P4/nmm,129,N-Se,2,"N,Se",0,-18.83016826,-4.707542065,1.013443735
2dm-5992,HgO,P-6m2,187,Hg-O,2,"Hg,O",0.2519,-5.39402235,-2.697011175,0.218102264
2dm-5999,ZnTe,P3m1,156,Te-Zn,2,"Te,Zn",1.3438,-4.85092181,-2.425460905,0.250263025
2dm-6003,ZnS,P3m1,156,S-Zn,2,"S,Zn",2.5839,-6.55268882,-3.27634441,0.232581625
2dm-6010,CuN2,Pmmm,47,Cu-N,2,"Cu,N",0,-19.20517727,-6.401725757,0.266353125
2dm-6033,Sr3Sn,P4mm,99,Sn-Sr,2,"Sn,Sr",0.1711,-9.05400761,-2.263501903,0.471874448
2dm-6037,Mg3Sn,P4mm,99,Mg-Sn,2,"Mg,Sn",0,-7.74898326,-1.937245815,0.407052857
2dm-6063,AsS,P4/nmm,129,As-S,2,"As,S",0,-16.11430307,-4.028575768,0.49884574
2dm-6066,CdP,P-6m2,187,Cd-P,2,"Cd,P",0,-5.12231733,-2.561158665,0.695700149
2dm-6085,HgP,P-6m2,187,Hg-P,2,"Hg,P",0,-4.31611529,-2.158057645,0.696378296
2dm-6102,As2Au,P2/m,10,As-Au,2,"As,Au",0,-12.0321542,-4.010718067,0.185933797
2dm-6113,NiCl2,Pmna,53,Cl-Ni,2,"Cl,Ni",0.2428,-21.69582496,-3.615970827,0.119251023
2dm-6114,KI,P4/mmm,123,I-K,2,"I,K",4.0528,-5.34202057,-2.671010285,0.137169965
2dm-6117,Ca3Ge,P4mm,99,Ca-Ge,2,"Ca,Ge",0.1376,-10.41664348,-2.60416087,0.521080869
2dm-6124,CdAs,P-6m2,187,As-Cd,2,"As,Cd",0,-4.58064386,-2.29032193,0.589275003
2dm-6127,NaBr,P4/mmm,123,Br-Na,2,"Br,Na",4.3939,-5.84584811,-2.922924055,0.13448736
2dm-6131,RbI,P4/mmm,123,I-Rb,2,"I,Rb",3.934,-5.24281988,-2.62140994,0.13721638
2dm-6132,PdF2,Pmna,53,F-Pd,2,"F,Pd",0.839,-24.66775727,-4.111292878,0
2dm-6136,Ca3C,P4mm,99,C-Ca,2,"C,Ca",0,-11.69758721,-2.924396803,0.898022988
2dm-6141,Ca3Pb,P4mm,99,Ca-Pb,2,"Ca,Pb",0.2969,-9.50455933,-2.376139833,0.475497394
2dm-6152,LiBr,P4/mmm,123,Br-Li,2,"Br,Li",4.6651,-6.41811594,-3.20905797,0.132772495
2dm-6153,Sr3C,P4mm,99,C-Sr,2,"C,Sr",0,-10.21360332,-2.55340083,1.017128438
2dm-6157,SiSe2,P-4m2,115,Se-Si,2,"Se,Si",1.121,-13.48853359,-4.496177863,0.09116625
2dm-6170,ZnSb,P3m1,156,Sb-Zn,2,"Sb,Zn",0,-4.40775635,-2.203878175,0.523334641
2dm-6180,HgTe,P3m1,156,Hg-Te,2,"Hg,Te",0.006,-3.42697913,-1.713489565,0.178161665
2dm-6189,PtN2,Pmmm,47,N-Pt,2,"N,Pt",0,-21.60406722,-7.20135574,0.119235352
2dm-6194,LiI,P4/mmm,123,I-Li,2,"I,Li",4.0778,-5.61475746,-2.80737873,0.141844725
2dm-6195,Mg3Ge,P4mm,99,Ge-Mg,2,"Ge,Mg",0,-8.24654077,-2.061635193,0.49986942
2dm-6196,TeN,P4/nmm,129,N-Te,2,"N,Te",0,-18.86224284,-4.71556071,0.831882949
2dm-6201,Mg3Pb,Pmm2,25,Mg-Pb,2,"Mg,Pb",0,-7.26638395,-1.816595988,0.3557466
2dm-6202,PtBr2,Pmna,53,Br-Pt,2,"Br,Pt",0.9191,-19.79735895,-3.299559825,0.037417971
2dm-6205,PtCl2,Pmna,53,Cl-Pt,2,"Cl,Pt",1.1724,-21.5867375,-3.597789583,0.023115801
2dm-6221,CdBi,P3m1,156,Bi-Cd,2,"Bi,Cd",0,-3.65934725,-1.829673625,0.57681602
2dm-6222,KF,P4/mmm,123,F-K,2,"F,K",4.8533,-8.12060422,-4.06030211,0.15551099
2dm-6225,MgU,P3m1,156,Mg-U,2,"Mg,U",0,-11.46415097,-5.732075485,0.7202438
2dm-6230,LiCl,P4/mmm,123,Cl-Li,2,"Cl,Li",5.334,-7.15792356,-3.57896178,0.109230485
2dm-6231,YbP2,Pmm2,25,P-Yb,2,"P,Yb",0.0016,-13.61764417,-4.539214723,0.14395918
2dm-6234,PtF2,Pmna,53,F-Pt,2,"F,Pt",1.1906,-24.883103,-4.147183833,0.139730594
2dm-6236,EuSn3,P6/mmm,191,Eu-Sn,2,"Eu,Sn",0.3826,-21.75986977,-5.439967443,0.617408063
2dm-6240,NiN2,Pmmm,47,N-Ni,2,"N,Ni",0,-21.63665476,-7.212218253,0.043871385
2dm-6249,CdO,P-6m2,187,Cd-O,2,"Cd,O",0.8238,-7.34764067,-3.673820335,0.282567075
2dm-6264,KBr,P4/mmm,123,Br-K,2,"Br,K",4.4071,-5.98030286,-2.99015143,0.14519763
2dm-6276,AgP2,P2/m,10,Ag-P,2,"Ag,P",0,-10.94617063,-3.648723543,0.924080908
2dm-6279,HgAs,P-6m2,187,As-Hg,2,"As,Hg",0,-3.79658641,-1.898293205,0.582587298
2dm-6287,Sr3Pb,P4mm,99,Pb-Sr,2,"Pb,Sr",0.1694,-8.55497211,-2.138743028,0.463884127
2dm-6290,Be3Si,P4mm,99,Be-Si,2,"Be,Si",0,-13.91510829,-3.478777073,0.684522376
2dm-6304,ZnP,P-6m2,187,P-Zn,2,"P,Zn",0,-5.77626992,-2.88813496,0.660372839
2dm-6305,ThRh5,P6/mmm,191,Rh-Th,2,"Rh,Th",0,-29.04049512,-4.84008252,3.009715282
2dm-6317,RbF,P4/mmm,123,F-Rb,2,"F,Rb",4.6163,-7.88329961,-3.941649805,0.147798185
2dm-6343,Sr3Si,P4mm,99,Si-Sr,2,"Si,Sr",0.1424,-9.57071655,-2.392679138,0.503423214
2dm-6344,Ca3Sn,P4mm,99,Ca-Sn,2,"Ca,Sn",0.3249,-10.05486477,-2.513716193,0.483712432
2dm-6361,RbCl,P4/mmm,123,Cl-Rb,2,"Cl,Rb",4.6021,-6.40991632,-3.20495816,0.147449495
2dm-6365,HgS,P3m1,156,Hg-S,2,"Hg,S",0.0248,-4.39689221,-2.198446105,0.14977616