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{
"id": "mp-1101841",
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{
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{
"id": "mp-1227225",
"created_at": "2022-09-04T14:47:07.095181Z",
"structure_string": "Ca5 Ti1 Sn4 B10 O30\n1.0\n4.897284 0.000000 0.000000\n-0.001683 6.130138 0.000000\n-2.445546 -2.475555 18.826452\nCa Ti Sn B O\n5 1 4 10 30\ndirect\n0.401660 0.600429 0.801921 Ca\n0.199988 0.799963 0.399979 Ca\n0.800012 0.200037 0.600021 Ca\n0.000000 0.000000 0.000000 Ca\n0.598340 0.399571 0.198079 Ca\n0.500000 0.500000 0.000000 Ti\n0.100367 0.899690 0.199816 Sn\n0.699975 0.300100 0.399899 Sn\n0.300025 0.699900 0.600101 Sn\n0.899633 0.100310 0.800184 Sn\n0.954962 0.523356 0.906887 B\n0.752132 0.726385 0.504294 B\n0.351884 0.126554 0.704327 B\n0.550381 0.920957 0.103187 B\n0.152006 0.326395 0.304147 B\n0.045038 0.476644 0.093113 B\n0.847994 0.673605 0.695853 B\n0.449619 0.079043 0.896813 B\n0.648116 0.873446 0.295673 B\n0.247868 0.273615 0.495706 B\n0.244486 0.214078 0.244218 O\n0.844197 0.614325 0.444309 O\n0.444142 0.014467 0.644379 O\n0.035718 0.416131 0.844491 O\n0.633440 0.800839 0.043500 O\n0.271268 0.944787 0.108073 O\n0.871556 0.342361 0.307964 O\n0.472074 0.742253 0.508320 O\n0.071858 0.142068 0.708470 O\n0.678208 0.541858 0.914795 O\n0.739565 0.036011 0.155127 O\n0.338175 0.439738 0.357113 O\n0.938618 0.839863 0.557132 O\n0.537867 0.240218 0.757254 O\n0.155132 0.629976 0.957601 O\n0.964282 0.583869 0.155509 O\n0.555858 0.985533 0.355621 O\n0.155803 0.385675 0.555691 O\n0.755514 0.785922 0.755782 O\n0.366560 0.199161 0.956500 O\n0.928142 0.857932 0.291530 O\n0.527926 0.257747 0.491680 O\n0.128444 0.657639 0.692036 O\n0.728732 0.055213 0.891927 O\n0.321792 0.458142 0.085205 O\n0.462133 0.759782 0.242746 O\n0.061382 0.160137 0.442868 O\n0.661825 0.560262 0.642887 O\n0.260435 0.963989 0.844873 O\n0.844868 0.370024 0.042399 O\n",
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"formula_full": "Ca5 Ti1 Sn4 B10 O30",
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{
"id": "mp-541378",
"created_at": "2022-09-04T14:47:07.061794Z",
"structure_string": "Cs4 Bi4 S8\n1.0\n9.594808 0.000000 0.000000\n0.000000 7.516931 0.000000\n0.000000 1.883006 7.973333\nCs Bi S\n4 4 8\ndirect\n0.431481 0.788972 0.867471 Cs\n0.931481 0.711028 0.132529 Cs\n0.568519 0.211028 0.132529 Cs\n0.068519 0.288972 0.867471 Cs\n0.166433 0.137251 0.411145 Bi\n0.666433 0.362749 0.588855 Bi\n0.833567 0.862749 0.588855 Bi\n0.333567 0.637251 0.411145 Bi\n0.254370 0.460236 0.192730 S\n0.754370 0.039764 0.807270 S\n0.745630 0.539764 0.807270 S\n0.245630 0.960236 0.192730 S\n0.908711 0.193798 0.329634 S\n0.408711 0.306202 0.670366 S\n0.091289 0.806202 0.670366 S\n0.591289 0.693798 0.329634 S\n",
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"elements": [
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"formula_full": "Cs4 Bi4 S8",
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{
"id": "mp-2807",
"created_at": "2022-09-04T14:47:07.088384Z",
"structure_string": "Sc1 P1\n1.0\n0.000000 2.658474 2.658474\n2.658474 0.000000 2.658474\n2.658474 2.658474 0.000000\nSc P\n1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 P\n",
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{
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"created_at": "2022-09-04T14:47:07.094480Z",
"structure_string": "Nb6 Ge2 S12\n1.0\n2.911979 -5.043696 0.000000\n2.911979 5.043696 0.000000\n0.000000 0.000000 13.659647\nNb Ge S\n6 2 12\ndirect\n0.333333 0.666667 0.250000 Nb\n0.000000 0.000000 0.250000 Nb\n0.000000 0.000000 0.750000 Nb\n0.333333 0.666667 0.750000 Nb\n0.666667 0.333333 0.750000 Nb\n0.666667 0.333333 0.250000 Nb\n0.000000 0.000000 0.000000 Ge\n0.000000 0.000000 0.500000 Ge\n0.000000 0.665666 0.635135 S\n0.000000 0.665666 0.864865 S\n0.000000 0.334334 0.135135 S\n0.000000 0.334334 0.364865 S\n0.334334 0.334334 0.635135 S\n0.334334 0.334334 0.864865 S\n0.665666 0.665666 0.135135 S\n0.665666 0.665666 0.364865 S\n0.334334 0.000000 0.135135 S\n0.334334 0.000000 0.364865 S\n0.665666 0.000000 0.635135 S\n0.665666 0.000000 0.864865 S\n",
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{
"id": "mp-1207170",
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"structure_string": "La2 Cl2 O4\n1.0\n4.396029 0.000000 0.000000\n0.000000 5.145257 0.000000\n0.000000 2.228963 6.466880\nLa Cl O\n2 2 4\ndirect\n0.250000 0.165884 0.672196 La\n0.750000 0.834116 0.327804 La\n0.250000 0.221798 0.079093 Cl\n0.750000 0.778202 0.920907 Cl\n0.250000 0.768740 0.529536 O\n0.750000 0.231260 0.470464 O\n0.250000 0.616592 0.378189 O\n0.750000 0.383408 0.621811 O\n",
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{
"id": "mp-694888",
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"structure_string": "Ba8 Mn8 O21\n1.0\n9.575370 0.000000 0.000000\n0.000000 5.791878 0.000000\n0.000000 0.062871 10.075923\nBa Mn O\n8 8 21\ndirect\n0.758615 0.992206 0.997416 Ba\n0.500000 0.510025 0.169386 Ba\n0.278853 0.492427 0.505801 Ba\n0.000000 0.007237 0.330684 Ba\n0.500000 0.993331 0.662981 Ba\n0.241385 0.992206 0.997416 Ba\n0.721147 0.492427 0.505801 Ba\n0.000000 0.493053 0.837186 Ba\n0.147858 0.496903 0.163101 Mn\n0.852142 0.496903 0.163101 Mn\n0.639151 0.997568 0.333290 Mn\n0.143630 0.020246 0.666163 Mn\n0.360849 0.997568 0.333290 Mn\n0.856370 0.020246 0.666163 Mn\n0.640907 0.518548 0.828339 Mn\n0.359093 0.518548 0.828339 Mn\n0.246100 0.249444 0.259559 O\n0.000000 0.278806 0.113310 O\n0.733730 0.485764 0.997122 O\n0.000000 0.714113 0.110002 O\n0.754955 0.746834 0.258126 O\n0.228626 0.748187 0.735811 O\n0.771374 0.748187 0.735811 O\n0.245045 0.746834 0.258126 O\n0.500000 0.777247 0.404673 O\n0.500000 0.003764 0.186708 O\n0.753859 0.989056 0.494521 O\n0.246141 0.989056 0.494521 O\n0.000000 0.994100 0.806694 O\n0.500000 0.213800 0.407326 O\n0.000000 0.234623 0.583514 O\n0.753900 0.249444 0.259559 O\n0.730089 0.246750 0.762331 O\n0.269911 0.246750 0.762331 O\n0.500000 0.497225 0.683851 O\n0.266270 0.485764 0.997122 O\n0.500000 0.734971 0.905551 O\n",
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{
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"structure_string": "Mg12 Mn4 Ni8\n1.0\n0.000000 5.724033 5.724033\n5.724033 0.000000 5.724033\n5.724033 5.724033 0.000000\nMg Mn Ni\n12 4 8\ndirect\n0.800932 0.800932 0.199068 Mg\n0.199068 0.199068 0.800932 Mg\n0.800932 0.199068 0.800932 Mg\n0.199068 0.800932 0.199068 Mg\n0.199068 0.800932 0.800932 Mg\n0.800932 0.199068 0.199068 Mg\n0.449068 0.449068 0.050932 Mg\n0.050932 0.050932 0.449068 Mg\n0.449068 0.050932 0.449068 Mg\n0.050932 0.449068 0.050932 Mg\n0.050932 0.449068 0.449068 Mg\n0.449068 0.050932 0.050932 Mg\n0.125000 0.625000 0.625000 Mn\n0.625000 0.125000 0.625000 Mn\n0.625000 0.625000 0.125000 Mn\n0.625000 0.625000 0.625000 Mn\n0.739795 0.420068 0.420068 Ni\n0.420068 0.739795 0.420068 Ni\n0.420068 0.420068 0.739795 Ni\n0.420068 0.420068 0.420068 Ni\n0.510205 0.829932 0.829932 Ni\n0.829932 0.510205 0.829932 Ni\n0.829932 0.829932 0.510205 Ni\n0.829932 0.829932 0.829932 Ni\n",
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{
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{
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{
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"structure_string": "Ca4 Cu4 Bi4 O20\n1.0\n11.014634 0.000000 0.000000\n0.000000 5.617450 0.000000\n0.000000 1.654526 7.767446\nCa Cu Bi O\n4 4 4 20\ndirect\n0.095597 0.531799 0.788819 Ca\n0.904403 0.468201 0.211181 Ca\n0.595597 0.468201 0.711181 Ca\n0.404403 0.531799 0.288819 Ca\n0.359053 0.139113 0.033136 Cu\n0.640947 0.860887 0.966864 Cu\n0.859053 0.860887 0.466864 Cu\n0.140947 0.139113 0.533136 Cu\n0.899875 0.995443 0.841016 Bi\n0.100125 0.004557 0.158984 Bi\n0.600125 0.995443 0.341016 Bi\n0.399875 0.004557 0.658984 Bi\n0.917329 0.723081 0.684904 O\n0.001886 0.225273 0.644163 O\n0.788472 0.105063 0.298144 O\n0.464004 0.758166 0.498369 O\n0.707472 0.767572 0.538014 O\n0.792528 0.767572 0.038014 O\n0.498114 0.225273 0.144163 O\n0.501886 0.774727 0.855837 O\n0.535996 0.241834 0.501631 O\n0.417329 0.276919 0.815096 O\n0.292528 0.232428 0.461986 O\n0.082671 0.276919 0.315096 O\n0.582671 0.723081 0.184904 O\n0.207472 0.232428 0.961986 O\n0.964004 0.241834 0.001631 O\n0.035996 0.758166 0.998369 O\n0.211528 0.894937 0.701856 O\n0.998114 0.774727 0.355837 O\n0.288472 0.894937 0.201856 O\n0.711528 0.105063 0.798144 O\n",
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}