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-1068235 | -7.53738 | -3.236298 | 4.639237 | other | Sr1Ge3Ir1 | 5 | 107 | 101.41 |
mp-1220217 | -7.893838 | -5.580145 | 4.98442 | other | Nd1Ga3Ag1 | 5 | 107 | 104.66 |
mp-1070321 | -5.066769 | -3.639324 | 6.031787 | other | Nd1Si3Rh1 | 5 | 107 | 87.67 |
mp-20747 | -3.401689 | -5.130453 | 6.532835 | other | Li1Si3Pd1 | 5 | 107 | 79.23 |
mp-20910 | -7.765263 | -3.05154 | 5.012836 | other | La1Ge3Ir1 | 5 | 107 | 99.91 |
mp-1069882 | -4.997382 | -3.470592 | 5.933858 | other | La1Si3Os1 | 5 | 107 | 91.66 |
mp-19973 | -7.682573 | -3.008751 | 5.254805 | other | La1Co1Ge3 | 5 | 107 | 92.61 |
mp-1215208 | -5.378576 | -2.656706 | 2.686659 | other | Zr1Ti3As2 | 6 | 107 | 101.4 |
mp-1220156 | -8.287465 | -5.486804 | 4.571544 | other | Nd1Ga3Au1 | 5 | 107 | 99.62 |
mp-1070137 | -4.213638 | -4.788656 | 5.720978 | other | Ba1Si3Pd1 | 5 | 107 | 100.48 |
mp-1068256 | -5.255832 | -3.242317 | 5.764254 | other | U1Si3Ir1 | 5 | 107 | 85.45 |
mp-1068732 | -5.203297 | -3.327845 | 5.810599 | other | Th1Si3Ru1 | 5 | 107 | 88.57 |
mp-1069477 | -5.144234 | -3.437488 | 5.940835 | other | Gd1Si3Ir1 | 5 | 107 | 87.16 |
mp-1070238 | -5.085337 | -3.456468 | 5.906586 | other | Th1Si3Rh1 | 5 | 107 | 87.81 |
mp-1218743 | 0.532641 | -0.012471 | 1.754524 | other | Sr2Li1N1 | 4 | 107 | 106.49 |
mp-1068588 | -5.121652 | -3.355852 | 5.967704 | other | Tb1Si3Ir1 | 5 | 107 | 85.39 |
mp-1219979 | -8.259741 | -5.476339 | 4.552846 | other | Pr1Ga3Au1 | 5 | 107 | 100.62 |
mp-1226791 | -7.576571 | -5.129595 | 4.805451 | other | Ca1Al3Au1 | 5 | 107 | 100.52 |
mp-1212252 | -8.482924 | -5.512364 | 4.034291 | other | Ho10In20Pd10 | 40 | 107 | 861.66 |
mp-1215654 | -5.101035 | -3.660185 | 5.378161 | other | Zr2Si7Ni3 | 12 | 107 | 178.06 |
mp-14625 | -7.689169 | -3.108882 | 5.252503 | other | Nd1Co1Ge3 | 5 | 107 | 90.4 |
mp-21660 | -7.661231 | -3.364629 | 4.885061 | other | Hf10Ga20Co10 | 40 | 107 | 591.63 |
mp-978987 | -6.947392 | -4.920969 | 3.874215 | other | Sr1Ge3Pd1 | 5 | 107 | 103.33 |
mp-1228222 | 9.208498 | 8.76922 | 1.726549 | other | Ba4In2O7 | 13 | 107 | 259.8 |
mp-13125 | -7.698166 | -3.06525 | 5.239337 | other | Pr1Co1Ge3 | 5 | 107 | 91.34 |
mp-1218236 | -7.786849 | -6.431246 | 2.965048 | other | Sr1In3Au1 | 5 | 107 | 132.29 |
mp-1215537 | -7.335281 | -5.389853 | 4.58779 | other | Yb1Zn1Ga3 | 5 | 107 | 97.6 |
mp-1068869 | -5.170108 | -3.451869 | 5.92297 | other | Th1Si3Ir1 | 5 | 107 | 88.58 |
mp-1213359 | -8.510015 | -5.524866 | 3.931267 | other | Er10In20Pd10 | 40 | 107 | 855.88 |
mp-1226793 | -4.40239 | 1.829696 | 2.852399 | other | Ce4Ni8B12 | 24 | 107 | 279.31 |
mp-1227072 | -7.819797 | -4.630971 | 4.078515 | other | Ca1Ga3Pt1 | 5 | 107 | 96.64 |
mp-10690 | -7.465074 | -3.218733 | 4.963239 | other | Eu1Co1Ge3 | 5 | 107 | 90.66 |
mp-1070394 | -5.100414 | -3.541673 | 5.883768 | other | Ce1Si3Rh1 | 5 | 107 | 87.57 |
mp-1224113 | -7.622414 | -4.539249 | 5.804975 | other | Ho1Al3Cu1 | 5 | 107 | 89.11 |
mp-1218359 | -6.363606 | -5.482851 | 5.211712 | other | Sr1Al3Ag1 | 5 | 107 | 108.56 |
mp-1070247 | -7.195068 | -4.168359 | 4.407491 | other | Ba1Ge3Rh1 | 5 | 107 | 106.66 |
mp-1219797 | -6.286655 | -2.243111 | 0.489324 | other | Ni6Sn1Te2 | 9 | 107 | 139.43 |
mp-1205484 | -7.696324 | -5.453709 | 3.138233 | other | Pr2Cu3Sn6 | 11 | 107 | 263.62 |
mp-644385 | 4.762664 | 2.202206 | -3.569064 | other | H1C1N1 | 3 | 107 | 46.34 |
mp-1227995 | -7.567919 | -5.600272 | 3.443932 | other | Ba1In3Pt1 | 5 | 107 | 135.86 |
mp-1210938 | -8.475095 | -5.628406 | 4.110226 | other | Sm10In20Pd10 | 40 | 107 | 897.39 |
mp-1067925 | -4.251212 | -4.895275 | 5.586174 | other | Sr1Si3Au1 | 5 | 107 | 97.13 |
mp-1228030 | -4.836506 | -6.545487 | 1.635339 | other | Ba4Bi2O1 | 7 | 107 | 269.72 |
mp-1212218 | -4.145509 | -3.977757 | -3.639224 | other | La32Sb8Se60 | 100 | 110 | 2,916.99 |
mp-27344 | 5.463096 | -0.312662 | -2.954748 | other | Be8B16H64 | 88 | 110 | 838.49 |
mp-1204294 | 8.619515 | 9.368941 | -3.747241 | other | Zr4Mo8O44 | 56 | 110 | 896.94 |
mp-985637 | 13.50558 | 7.737631 | -0.81814 | other | Li8Si16O28 | 52 | 110 | 662.09 |
mp-1207524 | 8.528602 | 9.578245 | -3.489351 | other | Zr4W8O44 | 56 | 110 | 861.04 |
mp-1098011 | 11.766529 | 4.441054 | -2.506821 | other | Li8B16O24 | 48 | 110 | 1,078.46 |
mp-1200259 | 13.34082 | 4.807036 | -2.32948 | other | Li8B16O24 | 48 | 110 | 845.51 |
mp-1201586 | 9.204944 | 7.637985 | -5.173657 | other | Zr4P8O32 | 44 | 110 | 723.67 |
mp-4779 | 13.800436 | 4.204748 | -2.421779 | other | Li8B16O28 | 52 | 110 | 466.65 |
mp-1195765 | -2.733675 | -2.639592 | -5.621522 | other | Nd32Sb8S60 | 100 | 110 | 2,450.12 |
mp-554935 | -2.636096 | -2.656928 | -5.64103 | other | Pr32Sb8S60 | 100 | 110 | 2,505.36 |
mp-1195582 | -2.626466 | -2.574602 | -5.506892 | other | La32Sb8S60 | 100 | 110 | 2,564.34 |
mp-560463 | 13.532419 | 4.245767 | -2.36439 | other | Li8B16O28 | 52 | 110 | 655.31 |
mp-1181782 | 10.210137 | 10.660306 | -3.407203 | other | Cu8Re8O32 | 48 | 110 | 750.34 |
mp-1212167 | -4.850062 | -2.86668 | -3.972363 | other | In5Cu1Se8 | 14 | 111 | 394.83 |
mp-2232683 | 11.768818 | 11.300146 | -2.167433 | other | Mg1W4O12 | 17 | 111 | 226.28 |
mp-568598 | -1.244202 | 2.572855 | -3.129865 | other | Cu2Hg1I4 | 7 | 111 | 234.65 |
mp-1222579 | -5.000877 | -4.857927 | 0.591876 | other | Li7Mn1As4 | 12 | 111 | 229.59 |
mp-1216735 | -4.610414 | -2.967161 | -4.009469 | other | Tl5In3Se8 | 16 | 111 | 481.43 |
mp-1212666 | -4.9254 | -2.707548 | -4.047354 | other | Ga5Cu1Se8 | 14 | 111 | 335.43 |
mp-1212671 | -6.034457 | -3.305119 | -2.247297 | other | Ga5Cu1Te8 | 14 | 111 | 425.17 |
mp-1106199 | -3.349383 | -3.847193 | 0.575359 | other | Cr1Ga7P8 | 16 | 111 | 330.73 |
mp-861184 | -4.338941 | -0.403867 | -5.088344 | other | Li2W1S4 | 7 | 111 | 200.8 |
mp-1078049 | -4.158675 | -1.343769 | -5.922215 | other | Zn1Ga2S4 | 7 | 111 | 144.86 |
mp-505244 | -5.555357 | -2.224271 | -3.778574 | other | Fe2Cu2Se4 | 8 | 111 | 167.55 |
mp-8976 | -4.622912 | -0.583544 | -5.2077 | other | Cu2W1S4 | 7 | 111 | 160.74 |
mp-707703 | 2.868871 | -0.312481 | -1.775633 | other | Th24Al12H33 | 69 | 111 | 1,127.38 |
mp-504587 | -5.090861 | -1.01482 | -5.410145 | other | Fe9Cu9S16 | 34 | 111 | 582.27 |
mp-1228096 | -6.720447 | -6.204822 | 2.243727 | other | K48Cu48Sn84 | 180 | 111 | 5,634.71 |
mp-758876 | 10.149687 | 0.855898 | 1.507525 | other | Li2Mn1F4 | 7 | 111 | 97.26 |
mp-1078053 | -5.072587 | -2.372715 | -3.824795 | other | Ga2Fe1Se4 | 7 | 111 | 174.83 |
mp-571103 | -4.815824 | -2.829218 | -3.959798 | other | In5Ag1Se8 | 14 | 111 | 407.66 |
mp-568032 | -4.816242 | -2.855217 | -3.992955 | other | Cd1In2Se4 | 7 | 111 | 205.77 |
mp-1219397 | -7.53897 | -4.973211 | 4.867192 | other | Sm8Ga48Cu3 | 59 | 111 | 1,101.89 |
mp-1220615 | -7.628664 | -4.920081 | 4.909914 | other | Nd8Ga48Cu3 | 59 | 111 | 1,117.81 |
mp-570256 | -1.184896 | 2.737066 | -3.128649 | other | Ag2Hg1I4 | 7 | 111 | 267.88 |
mp-1025150 | -5.198965 | -2.078667 | -3.994641 | other | Cu2W1Se4 | 7 | 111 | 170.7 |
mp-569813 | -6.112679 | -3.414067 | -2.125125 | other | In5Ag1Te8 | 14 | 111 | 505.16 |
mp-1365819 | -3.910422 | -1.576887 | -5.705535 | other | Al20Bi12S48 | 80 | 112 | 2,088.72 |
mp-1212660 | -0.324968 | 1.303939 | -4.31965 | other | Ga2Cu2Br8 | 12 | 112 | 355.69 |
mp-29362 | 1.652765 | 2.37735 | -5.218759 | other | Ga2Cu2Cl8 | 12 | 112 | 297.33 |
mp-1102536 | -0.320918 | 1.274348 | -4.321147 | other | Al2Cu2Br8 | 12 | 112 | 348.67 |
mp-28020 | 1.694008 | 2.382956 | -5.238425 | other | Al2Cu2Cl8 | 12 | 112 | 294.72 |
mp-1336703 | -4.715677 | -3.087004 | -3.821332 | other | Al20Bi12Se48 | 80 | 112 | 2,363.87 |
mp-1102285 | -2.448683 | -0.476116 | -5.46902 | other | Al2P2S8 | 12 | 112 | 303.32 |
mp-1268005 | -4.690414 | -2.853063 | -3.707211 | other | Al4Bi4Se16 | 24 | 112 | 662.93 |
mp-35327 | 4.086298 | 2.243811 | -3.1416 | other | Al2C6N6 | 14 | 113 | 281.35 |
mp-606393 | -0.178859 | 1.433145 | -4.047108 | other | Nb4Br12O4 | 20 | 113 | 555.41 |
mp-766847 | 9.267513 | 3.127882 | 0.351611 | other | W4O4F12 | 20 | 113 | 333.17 |
mp-3551 | -6.127975 | -3.6191 | -1.720467 | other | Tb2Ag2Te4 | 8 | 113 | 240.3 |
mp-758096 | 8.215114 | 2.393694 | -0.911314 | other | Sb4O4F12 | 20 | 113 | 327.4 |
mp-1079680 | 11.04173 | 10.856876 | 0.656375 | other | Ca4Fe4O8 | 16 | 113 | 213.76 |
mp-1198660 | 11.569813 | 11.108596 | -3.890748 | other | Y4Mo6O24 | 34 | 113 | 598.53 |
mp-1078789 | 5.13827 | 3.363142 | -3.66726 | other | C2N4O2 | 8 | 113 | 168.31 |
mp-632734 | 8.57526 | 3.210869 | -4.649945 | other | H8N4O6 | 18 | 113 | 164.13 |
mp-1209807 | 11.64508 | 11.096519 | -3.957448 | other | Pr4Mo6O24 | 34 | 113 | 627.25 |
mp-1176513 | 6.875737 | 5.171363 | -4.541306 | other | Na6N2O6 | 14 | 113 | 184.8 |
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