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-621694 | 3.82128 | 2.639734 | -3.134101 | other | Cd1C1N2 | 4 | 160 | 70.98 |
mp-29643 | -4.627091 | -2.650109 | -3.841054 | other | Cu1As1Se2 | 4 | 160 | 97.81 |
mp-7795 | -3.645308 | -1.615501 | -5.642095 | other | Rb1Sn1S2 | 4 | 160 | 110.87 |
mp-1224695 | -9.501302 | -4.558218 | 3.801786 | other | Gd1Cu4Pd1 | 6 | 160 | 93.25 |
mp-1215992 | -7.008288 | -4.384123 | 6.418678 | other | Y3Er3Al18 | 24 | 160 | 471.33 |
mp-28781 | 8.578935 | 1.449368 | 1.209866 | other | Pr1Zr3F15 | 19 | 160 | 271.44 |
mp-675124 | -3.991543 | -1.346236 | -5.793945 | other | In4Sn1S8 | 13 | 160 | 319.12 |
mp-1185724 | -6.118664 | -8.355511 | 5.711802 | other | Mg16Mn1Al12 | 29 | 160 | 574.49 |
mp-1185702 | -6.154099 | -8.299159 | 5.666456 | other | Mg16Al12Ru1 | 29 | 160 | 569.57 |
mp-1225800 | -3.033527 | -3.913159 | 0.917183 | other | Cu1Si4P3 | 8 | 160 | 149.99 |
mp-1221590 | -4.052409 | -1.341868 | -5.848323 | other | Mn1Hg3S4 | 8 | 160 | 207.13 |
mp-1215811 | -8.109905 | -0.901677 | 4.420772 | other | Zr3Al1Co8 | 12 | 160 | 161.73 |
mp-1219100 | -7.750202 | 1.033014 | 5.070651 | other | Sm1Er1Fe17 | 19 | 160 | 258.81 |
mp-1209866 | 8.575409 | 1.460601 | 1.179434 | other | Nd1Zr3F15 | 19 | 160 | 269.35 |
mp-1247556 | 1.65488 | 1.785194 | 0.824183 | other | K1Ba1N1 | 3 | 160 | 105.78 |
mp-1184188 | -6.215932 | -8.230741 | 5.802548 | other | Er1Mg16Al12 | 29 | 160 | 587.45 |
mp-1187115 | -6.10294 | -8.476563 | 5.786322 | other | Sr1Mg16Al12 | 29 | 160 | 606.83 |
mp-1215395 | -7.291436 | -0.01308 | 5.111898 | other | Zr3Ti1Fe8 | 12 | 160 | 171.27 |
mp-570142 | 0.233865 | 0.65882 | -2.925107 | other | Ca3Si1Br2 | 6 | 160 | 186.46 |
mp-18775 | 10.635923 | 8.009024 | -6.199571 | other | Fe3P1O7 | 11 | 160 | 133.9 |
mp-1224816 | -8.9015 | -1.551868 | 2.837451 | other | Gd1Mg3Ni8 | 12 | 160 | 164.51 |
mp-1205727 | 12.772749 | 9.895321 | 1.816213 | other | Ba1Nb3O6 | 10 | 160 | 129.04 |
mp-1223844 | -5.042722 | -5.272053 | 0.144372 | other | In2Sb1As1 | 4 | 160 | 132.1 |
mp-1216918 | -9.259766 | -4.626338 | 4.090991 | other | U2Ga4Cu12 | 18 | 160 | 270.2 |
mp-1222568 | -7.448181 | -6.568024 | 2.470005 | other | Li3Ag3Sn2 | 8 | 160 | 147.22 |
mp-1225421 | -7.396151 | 0.492673 | 5.158427 | other | Dy2Al5Fe12 | 19 | 160 | 263.1 |
mp-753022 | 11.652209 | 8.100351 | -0.56543 | other | Na2Ga10O16 | 28 | 160 | 349.31 |
mp-1277185 | 13.101706 | 12.120466 | -0.191116 | other | Al4V8O16 | 28 | 160 | 296.86 |
mp-3532 | -5.355562 | -1.84237 | -3.91381 | other | Cr1Ag1Se2 | 4 | 160 | 84.78 |
mp-1221632 | -4.70133 | -1.243617 | -5.616991 | other | Mn1Cd1S2 | 4 | 160 | 96.26 |
mp-1226287 | -7.719501 | -1.724401 | 2.945658 | other | Cr1Co1Pt2 | 4 | 160 | 54.93 |
mp-2420227 | -5.332974 | -1.502445 | -3.178765 | other | V4Ge1Se8 | 13 | 160 | 267.17 |
mp-1224784 | -5.340978 | -5.355384 | 0.159948 | other | Ga2Bi1As1 | 4 | 160 | 115.17 |
mp-675028 | 8.221483 | 11.116281 | -0.294191 | other | K2Os4O12 | 18 | 160 | 261.39 |
mp-2210634 | 12.711987 | 9.81278 | 1.616225 | other | Mg1Ti1O2 | 4 | 160 | 46.36 |
mp-531283 | 12.313248 | 7.711671 | -0.239432 | other | Al16Cu8O32 | 56 | 160 | 541.6 |
mp-1187896 | -6.17007 | -8.382284 | 5.795125 | other | Yb1Mg16Al12 | 29 | 160 | 595.87 |
mp-761314 | 10.974533 | 8.902445 | -0.795204 | other | Ga4Ni2O8 | 14 | 160 | 147.35 |
mp-1412222 | 8.575613 | 1.153826 | 1.101884 | other | Tl1Cd1F3 | 5 | 160 | 86.27 |
mp-1225167 | -7.78688 | 0.487958 | 5.58957 | other | Gd3Y3Fe23 | 29 | 160 | 436.63 |
mp-1215420 | -7.212469 | -0.044187 | 5.027663 | other | Zr3Ta1Fe8 | 12 | 160 | 173.98 |
mp-763551 | 11.632072 | 13.289072 | -0.805937 | other | Mn4V2O8 | 14 | 160 | 165.48 |
mp-1219896 | -9.212121 | -1.454265 | 2.814795 | other | Pr3Mg1Ni14 | 18 | 160 | 259.65 |
mp-756773 | 6.43684 | 13.94692 | -1.975948 | other | Li2Co4O8 | 14 | 160 | 134.12 |
mp-2210615 | 9.620865 | 12.914376 | -0.624736 | other | Mg1Co1O2 | 4 | 160 | 39.78 |
mp-1048853 | 8.384397 | 13.17287 | -0.626396 | other | Ca2Fe4O8 | 14 | 160 | 176.69 |
mp-1215503 | -4.842961 | -4.972054 | 0.158638 | other | Zn1Sn1As2 | 4 | 160 | 105.17 |
mp-1229076 | 4.079614 | 2.233118 | -3.137239 | other | Al1C3N3 | 7 | 160 | 142.59 |
mp-759421 | 9.682602 | 1.603194 | 0.833054 | other | Li3V1F7 | 11 | 160 | 149.98 |
mp-1100877 | -6.064576 | -3.46568 | -2.300364 | other | Zn7Ga22Te40 | 69 | 160 | 2,665.24 |
mp-541937 | -4.073695 | -1.322531 | -5.915922 | other | Zn1In2S4 | 7 | 160 | 168.59 |
mp-2218852 | 12.488915 | 11.609126 | 1.936157 | other | Mg1Ti4O8 | 13 | 160 | 152.37 |
mp-753586 | 11.10178 | 11.351 | 0.316072 | other | Ca5Mn8O13 | 26 | 160 | 323.55 |
mp-29211 | -5.116413 | -0.015447 | -5.06191 | other | V4Cu3S8 | 15 | 160 | 239.43 |
mp-1096983 | 7.87398 | 0.372213 | -4.563966 | other | H3C1I1 | 5 | 160 | 3,708.67 |
mp-1217733 | -8.509109 | -0.351603 | 4.59129 | other | Tb2Ga3Co14 | 19 | 160 | 248.93 |
mp-2227450 | -5.369112 | -0.749365 | -4.647021 | other | Mg1Co1S2 | 4 | 160 | 62.49 |
mp-1219047 | -8.76753 | -0.056629 | 4.465445 | other | Sm1Y1Co17 | 19 | 160 | 240.2 |
mp-1044693 | 11.189686 | 9.588726 | 0.414759 | other | Ca2Sb4O8 | 14 | 160 | 234.19 |
mp-1222490 | -5.699479 | -5.880403 | 0.60511 | other | Li4Cd5Sb5 | 14 | 160 | 375.92 |
mp-1021670 | -4.760604 | -1.813861 | -3.452463 | other | Ti1Ag1Se2 | 4 | 160 | 87.04 |
mp-1224866 | 1.74095 | 2.235489 | 1.488788 | other | Ga2Bi1N1 | 4 | 160 | 79.53 |
mp-1048906 | 13.003697 | 10.696289 | -0.067923 | other | Zn2Mo4O8 | 14 | 160 | 182.9 |
mp-753846 | 11.677976 | 8.020279 | -0.261094 | other | Mg2Ga4O8 | 14 | 160 | 149.21 |
mp-767412 | -5.529691 | -0.583255 | -4.308846 | other | Li3Co4S8 | 15 | 160 | 247.96 |
mp-1219035 | -5.793408 | -3.63001 | -2.089224 | other | Sn4Te3Se1 | 8 | 160 | 357.99 |
mp-1217592 | -8.704513 | -0.449902 | 5.011527 | other | Tb1Dy3Co8 | 12 | 160 | 184.07 |
mp-1228895 | -5.27599 | -5.723104 | 0.413604 | other | Al1Ga1Sb2 | 4 | 160 | 116.9 |
mp-1221431 | -7.592938 | -2.358899 | 2.916584 | other | Mo1Pd2Rh1 | 4 | 160 | 60.79 |
mp-2210621 | -5.091218 | -0.554861 | -5.810268 | other | Mg1Cr1S2 | 4 | 160 | 69.84 |
mp-34330 | 12.524605 | 7.528983 | 0.535529 | other | Mg2Al4O8 | 14 | 160 | 135.69 |
mp-1044664 | 12.852825 | 10.992933 | 1.787772 | other | Ti4Zn2O8 | 14 | 160 | 156.69 |
mp-1182015 | 5.65506 | 4.358182 | -3.600108 | other | Cd1C1N2 | 4 | 160 | 52.13 |
mp-1217633 | -8.698099 | -0.526679 | 5.020245 | other | Tb3Ho1Co8 | 12 | 160 | 182.92 |
mp-754132 | 11.569553 | 0.306577 | 1.745346 | other | Mn10O6F10 | 26 | 160 | 370.33 |
mp-540687 | -5.859119 | -3.556969 | -1.952939 | other | Ge3Bi2Te6 | 11 | 160 | 353.5 |
mp-1094011 | -4.156433 | -1.315513 | -5.996062 | other | Zn2Ga4S8 | 14 | 160 | 292.49 |
mp-998352 | -3.252199 | -1.576293 | -5.342368 | other | Ba1Hf1S3 | 5 | 160 | 125.84 |
mp-685698 | 11.457463 | 10.711218 | -0.069972 | other | Re32Pb32O108 | 172 | 160 | 2,371.99 |
mp-530164 | 12.543906 | 7.549921 | 0.518902 | other | Mg8Al16O32 | 56 | 160 | 526.89 |
mp-1224273 | -8.570135 | -1.104132 | 3.573131 | other | Ho3Mn3Ni6 | 12 | 160 | 181.83 |
mp-1225018 | -7.871271 | -1.383101 | 3.158506 | other | Fe1Co1Pt2 | 4 | 160 | 53.5 |
mp-975424 | -6.087343 | -8.625302 | 5.864873 | other | Rb1Mg16Al12 | 29 | 160 | 606.42 |
mp-756710 | 10.194029 | 13.540991 | -0.927179 | other | Cr3Fe2O8 | 13 | 160 | 149.64 |
mp-22981 | 7.736497 | 6.670752 | -2.847927 | other | Tl1I1O3 | 5 | 160 | 91.32 |
mp-33302 | 12.52356 | 7.563127 | 0.564489 | other | Mg8Al16O32 | 56 | 160 | 544.45 |
mp-1215406 | -6.1234 | -3.388316 | -2.396815 | other | Zn1Cd1Te2 | 4 | 160 | 131.7 |
mp-3107 | 12.690289 | 6.523996 | -5.462547 | other | Ga3P1O7 | 11 | 160 | 121.89 |
mp-1215476 | -6.080312 | -3.46942 | -2.33914 | other | Zn1Hg1Te2 | 4 | 160 | 132.92 |
mp-1224789 | -3.838032 | -4.161792 | 0.063709 | other | Ga2As1P1 | 4 | 160 | 85.84 |
mp-1099572 | 10.083878 | 1.460509 | 2.018694 | other | Mn1In1F3 | 5 | 160 | 80 |
mp-37163 | -1.085679 | 2.604161 | -3.163095 | other | Ag2Hg1I4 | 7 | 160 | 1,217.51 |
mp-34787 | 7.127253 | 9.531888 | -1.882888 | other | Ag7N1O11 | 19 | 160 | 256.68 |
mp-1044609 | 11.272902 | 9.349202 | 0.442903 | other | Mg2Sn4O8 | 14 | 160 | 201.46 |
mp-8393 | -3.570599 | -1.768431 | -5.396212 | other | Tl3Sb1S3 | 7 | 160 | 203.05 |
mp-9519 | 4.189519 | 2.434259 | -3.134815 | other | Ag1C1N1 | 3 | 160 | 71.78 |
mp-1185709 | -6.0386 | -8.388746 | 5.624961 | other | Mg16Al12Sn1 | 29 | 160 | 590.78 |
mp-1217108 | 0.952215 | 1.815412 | 2.593528 | other | Ti4B2N3 | 9 | 160 | 100.64 |
mp-1096820 | -4.350151 | -1.293343 | -5.894933 | other | Al1Ag1S2 | 4 | 160 | 75.47 |
mp-1185713 | -6.029979 | -8.422531 | 5.648598 | other | Mg16Al12Te1 | 29 | 160 | 595.23 |
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