mp_ID stringlengths 4 10 | x float64 -10.28 17.7 | y float64 -12.01 23.9 | z float64 -8.99 7.96 | type stringclasses 2
values | formula stringlengths 2 26 | n_atoms int64 1 444 | spacegroup int64 1 230 | volume float64 5.61 20.1k |
|---|---|---|---|---|---|---|---|---|
mp-999461 | -4.187698 | -4.220704 | -3.849133 | other | Na1Pr1Se2 | 4 | 166 | 111.14 |
mp-1216719 | -4.919756 | -3.958642 | 0.370198 | other | U2Te1Se1 | 4 | 166 | 105.59 |
mp-1221147 | 1.164963 | 1.824874 | -5.307227 | other | Na5Br1Cl4 | 10 | 166 | 227.82 |
mp-1096947 | 9.303924 | 13.067024 | 0.826394 | other | Dy1Mn2O4 | 7 | 166 | 94.07 |
mp-33461 | 7.644712 | 15.05885 | -1.076767 | other | Li3Mn3O8 | 14 | 166 | 141.74 |
mp-1219173 | -3.028529 | -3.696069 | -3.760092 | other | Sm4Eu1S5 | 10 | 166 | 230.94 |
mp-8291 | 8.769177 | 1.487949 | 1.129489 | other | Ba1Ti1F6 | 8 | 166 | 114.79 |
mp-1224334 | -3.245106 | -0.075067 | 2.794689 | other | Hf1Nb1C2 | 4 | 166 | 47.5 |
mp-1215685 | 8.622938 | 12.120315 | -0.610697 | other | Zn4Ni4O8 | 16 | 166 | 156.18 |
mp-541187 | 1.815636 | 1.919194 | 2.057826 | other | Al8C3N4 | 15 | 166 | 167.85 |
mp-1018096 | 1.676921 | 1.905812 | 0.938712 | other | Ba2N1F1 | 4 | 166 | 93.5 |
mp-753061 | 6.55316 | 13.220979 | -2.47188 | other | Ti2Co6O16 | 24 | 166 | 292.94 |
mp-1216711 | -4.573768 | -0.042547 | 2.950225 | other | Ti1Mo1C2 | 4 | 166 | 41.12 |
mp-13696 | 7.511624 | 9.657619 | 0.467083 | other | Eu1Cu1O2 | 4 | 166 | 66.1 |
mp-9479 | -4.844342 | -3.182431 | -4.056168 | other | Mg1Al2Se4 | 7 | 166 | 182.84 |
mp-1246947 | 0.516868 | 2.549083 | 1.789642 | other | In1Co2N2 | 5 | 166 | 65.01 |
mp-1217107 | 0.724549 | 1.60945 | 2.699044 | other | Ti4C1N3 | 8 | 166 | 77.49 |
mp-16765 | -5.195686 | -2.421879 | -1.280207 | other | Zr2Te2P1 | 5 | 166 | 130.26 |
mp-1219713 | -6.159923 | -4.949027 | 1.710604 | other | Pr1Nd1Sb2 | 4 | 166 | 133.03 |
mp-1001611 | -4.309019 | -4.033925 | -3.893276 | other | Lu1Tl1Se2 | 4 | 166 | 111.51 |
mp-1217919 | -4.322176 | -0.070004 | 2.991101 | other | Ta1Mo1C2 | 4 | 166 | 43.45 |
mp-1215576 | -3.055212 | -3.734461 | -3.739876 | other | Yb1Sm4S5 | 10 | 166 | 226.96 |
mp-999450 | -4.216604 | -4.229269 | -3.815172 | other | Na1Sm1Se2 | 4 | 166 | 106.49 |
mp-13694 | 9.402803 | 8.926764 | 2.470163 | original | Pr1Cu1O2 | 4 | 166 | 70.48 |
mp-5134 | -9.090681 | -1.430226 | 2.824834 | other | La1Mg2Ni9 | 12 | 166 | 160.55 |
mp-752879 | 12.742524 | 11.742452 | 1.539658 | other | Li3Ti4O8 | 15 | 166 | 150.12 |
mp-1220365 | -3.735183 | -0.231422 | 2.805377 | other | Nb1V1C2 | 4 | 166 | 41.31 |
mp-1222713 | -3.073534 | -3.649375 | -2.999093 | other | La1U1S2 | 4 | 166 | 94.6 |
mp-756480 | 6.611627 | 13.1413 | -1.290628 | other | Li3Fe4O8 | 15 | 166 | 152.58 |
mp-777562 | 10.167438 | 0.998383 | 1.598984 | other | Li10Mn3F16 | 29 | 166 | 308.49 |
mp-27910 | -5.910835 | -3.59573 | -2.031142 | other | Bi2Te2S1 | 5 | 166 | 165.18 |
mp-542178 | -9.124022 | -6.14406 | 4.137129 | other | Nd2Zn15Ge2 | 19 | 166 | 324.58 |
mp-1388646 | 8.268358 | 13.410079 | -1.04289 | other | Zn2Fe4O8 | 14 | 166 | 152.66 |
mp-754852 | -1.223564 | 1.936213 | -1.625078 | other | Ba1Sr1I4 | 6 | 166 | 279.42 |
mp-1222707 | 2.351077 | 1.741004 | 1.823592 | other | La1Th1N2 | 4 | 166 | 71.61 |
mp-1178133 | 9.627872 | 8.336748 | 3.060679 | other | K1Sm1O2 | 4 | 166 | 68.29 |
mp-1104580 | -4.153599 | 1.685938 | 3.271511 | other | Y4Fe3B6 | 13 | 166 | 181.29 |
mp-1077251 | -8.277529 | -2.799003 | 4.590704 | other | Er2Si1Rh3 | 6 | 166 | 101.16 |
mp-555263 | 13.12051 | 12.070743 | -0.123296 | other | Al2V4O8 | 14 | 166 | 142.15 |
mp-12317 | 4.705544 | 1.9175 | -2.407495 | other | Sr1C1N2 | 4 | 166 | 69.05 |
mp-7015 | -3.058003 | -2.484267 | -5.110513 | other | Cs1Ce1S2 | 4 | 166 | 128.49 |
mp-1174225 | 3.973007 | 19.230759 | -1.802087 | other | Li5Co3O8 | 16 | 166 | 144.19 |
mp-1224286 | 0.557849 | 1.308078 | 2.810587 | other | Hf1Ti1N2 | 4 | 166 | 42.37 |
mp-7113 | -5.482201 | -0.487678 | -5.631301 | other | Cr1Au1S2 | 4 | 166 | 77.2 |
mp-1106126 | -7.665429 | 0.864633 | 5.113401 | other | Nd2Ga2Fe15 | 19 | 166 | 264.61 |
mp-999460 | -2.635437 | -2.634723 | -5.688587 | other | Na1Sc1S2 | 4 | 166 | 80.2 |
mp-578611 | 6.275796 | 12.89192 | -1.261905 | other | Na1Ni1O2 | 4 | 166 | 38.85 |
mp-1216051 | 9.554972 | 9.427376 | 2.882496 | other | Y7Re1O14 | 22 | 166 | 313.6 |
mp-1215484 | -5.958818 | -1.522382 | 3.934265 | other | Zr2Co1Mo3 | 6 | 166 | 104.6 |
mp-1191671 | -7.661963 | 1.010638 | 4.685055 | other | Er2Fe17C3 | 22 | 166 | 267.11 |
mp-1386933 | -3.945196 | -0.24162 | -4.540666 | other | Ca1Ti4S8 | 13 | 166 | 275.24 |
mp-9361 | -2.796931 | -2.523759 | -5.580238 | other | Rb1La1S2 | 4 | 166 | 123.41 |
mp-2218895 | 5.879468 | 12.592141 | -1.572891 | other | Mg1Ni4O8 | 13 | 166 | 137.02 |
mp-1222155 | 16.375355 | 9.762767 | 5.285676 | other | Mg12Fe4O16 | 32 | 166 | 316.27 |
mp-1096971 | 11.331724 | 8.211842 | -1.128397 | other | Ga1Ag1O2 | 4 | 166 | 48.16 |
mp-1104452 | -4.209738 | 1.917447 | 3.103923 | other | Ce4Fe3B6 | 13 | 166 | 172.92 |
mp-1105883 | -6.865549 | -4.223722 | 6.402969 | other | Tb4Hf1Al15 | 20 | 166 | 380.77 |
mp-1222159 | 16.418789 | 9.738194 | 5.478086 | other | Mg8Fe2O10 | 20 | 166 | 187.15 |
mp-562649 | 7.067979 | 13.378181 | -1.545432 | other | Ba3Co10O17 | 30 | 166 | 344.17 |
mp-15797 | -4.266482 | -4.257477 | -3.863748 | other | Li1Er1Se2 | 4 | 166 | 90.01 |
mp-1072114 | 8.694469 | 2.000082 | 2.408413 | other | Ho2O2F2 | 6 | 166 | 76.91 |
mp-5175 | 9.936833 | 8.964723 | 0.324687 | other | Na1In1O2 | 4 | 166 | 49.51 |
mp-8176 | 7.934544 | 8.553554 | -0.460878 | original | Rb1Tl1O2 | 4 | 166 | 67.44 |
mp-754623 | 6.640121 | 13.42439 | -2.414038 | other | Cr1Co3O8 | 12 | 166 | 132.95 |
mp-16830 | -8.793155 | -0.185736 | 2.425082 | other | Sr1Ni12B6 | 19 | 166 | 192.66 |
mp-28638 | -0.24535 | 0.62525 | -2.678419 | other | Gd2C1Cl1 | 4 | 166 | 81.18 |
mp-6978 | 9.70264 | 8.400644 | 3.007247 | other | Rb1Ho1O2 | 4 | 166 | 67.28 |
mp-1103928 | -8.559816 | -6.28057 | 2.738738 | other | Yb4Sn4Au6 | 14 | 166 | 319.91 |
mp-15794 | -4.264115 | -4.18878 | -3.852513 | other | Li1Y1Se2 | 4 | 166 | 92.1 |
mp-1078240 | -6.082062 | -2.345721 | 4.117394 | other | Si6Ni3Au1 | 10 | 166 | 136.55 |
mp-37995 | 10.719176 | 12.441074 | 2.096772 | other | Ti3Zn2O8 | 13 | 166 | 150.16 |
mp-1104018 | -3.743415 | 1.518049 | 2.925738 | other | Nd5Mn2B6 | 13 | 166 | 212.04 |
mp-1217816 | 2.780813 | -0.414966 | -1.637879 | other | Ta1V1H4 | 6 | 166 | 42.42 |
mp-757021 | 9.451169 | 8.326747 | 2.825363 | other | K1Gd1O2 | 4 | 166 | 66.48 |
mp-1215482 | -3.261181 | -2.194566 | -5.365345 | other | Yb1Ag1S2 | 4 | 166 | 83.31 |
mp-35690 | 7.769969 | 13.183789 | -1.578945 | other | Co5Ru1O8 | 14 | 166 | 136.59 |
mp-1217710 | -8.531943 | -0.253991 | 5.272297 | other | Tb2Fe1Co3 | 6 | 166 | 93.84 |
mp-9274 | -5.277048 | -6.048564 | 0.6253 | other | Rb3Sb2Au3 | 8 | 166 | 269.96 |
mp-1223215 | -7.003515 | -4.945364 | 6.243804 | other | La2Mg1Al3 | 6 | 166 | 140.68 |
mp-559246 | 9.284807 | 1.008519 | 0.346965 | other | Ba1Cr1F6 | 8 | 166 | 110.91 |
mp-1217695 | -7.822842 | -9.160436 | 6.367986 | other | Tb2Mg5Ag1 | 8 | 166 | 185.99 |
mp-541911 | 1.832471 | 1.924414 | 2.560074 | other | Hf2N2Cl2 | 6 | 166 | 104.79 |
mp-1247747 | -5.230586 | 0.173061 | -5.395713 | other | Ta1Cr3S8 | 12 | 166 | 226.85 |
mp-3487 | 13.171598 | 5.426147 | -6.269831 | other | Ca3P2O8 | 13 | 166 | 146.74 |
mp-7045 | -2.761205 | -2.556563 | -5.715633 | other | Rb1Gd1S2 | 4 | 166 | 112.32 |
mp-1247096 | 0.460424 | 2.663946 | 1.652809 | other | Co1Pd2N2 | 5 | 166 | 56.85 |
mp-9081 | -2.985211 | -2.535341 | -5.617885 | other | Cs1Nd1S2 | 4 | 166 | 125.86 |
mp-1219740 | 1.642641 | 1.48341 | 2.439514 | other | Pr1U1N2 | 4 | 166 | 63.73 |
mp-1411153 | -5.366928 | -0.067703 | -5.662899 | other | Mg1Cr4S8 | 13 | 166 | 239.35 |
mp-14437 | 9.599632 | 8.431136 | 2.83204 | other | Rb1Y1O2 | 4 | 166 | 68.32 |
mp-9090 | -3.379105 | -2.118097 | -5.098066 | other | Cs1Yb1S2 | 4 | 166 | 123.15 |
mp-1044229 | 12.955894 | 10.453344 | 0.055472 | other | Zn1W4O8 | 13 | 166 | 180.08 |
mp-1216687 | 2.82809 | -0.400954 | -1.680099 | other | Ti1V1H4 | 6 | 166 | 39.82 |
mp-1247752 | -5.279074 | -0.110804 | -5.619467 | other | Cr3Sn1S8 | 12 | 166 | 241.48 |
mp-15652 | -7.516961 | -2.717679 | 2.339149 | other | Rh3Pb2S2 | 7 | 166 | 133.6 |
mp-1221707 | -6.680314 | -1.01208 | 4.162965 | other | Mn9Al4V3 | 16 | 166 | 196.11 |
mp-754781 | 11.852425 | 8.595052 | 0.016374 | original | Ga6N2O6 | 14 | 166 | 148.63 |
mp-1227743 | 7.43883 | 11.019921 | -0.297906 | other | Ca3Ru4O14 | 21 | 166 | 271.18 |
mp-1222296 | -2.701234 | -2.693573 | -5.669625 | other | Li1Sm1S2 | 4 | 166 | 85.47 |
mp-541806 | 10.79327 | 11.818765 | 2.938385 | other | Rb4Nb11O30 | 45 | 166 | 739 |
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