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{
"id": "mp-753546",
"created_at": "2022-09-04T14:47:26.423929Z",
"structure_string": "Li16 Ti2 S12\n1.0\n3.447491 -5.971230 0.000000\n3.447491 5.971230 0.000000\n0.000000 0.000000 13.462077\nLi Ti S\n16 2 12\ndirect\n0.000000 0.683081 0.766079 Li\n0.000000 0.619714 0.130684 Li\n0.000000 0.380286 0.630684 Li\n0.000000 0.316919 0.266079 Li\n0.333333 0.666667 0.401485 Li\n0.333333 0.666667 0.901485 Li\n0.316919 0.316919 0.766079 Li\n0.380286 0.380286 0.130684 Li\n0.619714 0.619714 0.630684 Li\n0.316919 0.000000 0.266079 Li\n0.683081 0.683081 0.266079 Li\n0.380286 0.000000 0.630684 Li\n0.666667 0.333333 0.901485 Li\n0.666667 0.333333 0.401485 Li\n0.619714 0.000000 0.130684 Li\n0.683081 0.000000 0.766079 Li\n0.000000 0.000000 0.997996 Ti\n0.000000 0.000000 0.497996 Ti\n0.000000 0.685585 0.950124 S\n0.000000 0.314415 0.450124 S\n0.333333 0.666667 0.217326 S\n0.000000 0.000000 0.169378 S\n0.000000 0.000000 0.669378 S\n0.333333 0.666667 0.717326 S\n0.314415 0.314415 0.950124 S\n0.314415 0.000000 0.450124 S\n0.685585 0.685585 0.450124 S\n0.666667 0.333333 0.717326 S\n0.666667 0.333333 0.217326 S\n0.685585 0.000000 0.950124 S\n",
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{
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"formula_full": "Ga6 Rh2",
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{
"id": "mp-1025853",
"created_at": "2022-09-04T14:39:47.530906Z",
"structure_string": "Te2 Mo3 Se2 S2\n1.0\n1.674830 -2.900891 0.000000\n1.674830 2.900891 0.000000\n0.000000 0.000000 30.902253\nTe Mo Se S\n2 3 2 2\ndirect\n0.333333 0.666667 0.517090 Te\n0.333333 0.666667 0.639521 Te\n0.000000 0.000000 0.115663 Mo\n0.000000 0.000000 0.578332 Mo\n0.333333 0.666667 0.346993 Mo\n0.333333 0.666667 0.061851 Se\n0.333333 0.666667 0.169449 Se\n0.000000 0.000000 0.396032 S\n0.000000 0.000000 0.297911 S\n",
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"formula_full": "Te2 Mo3 Se2 S2",
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},
{
"id": "mp-1219477",
"created_at": "2022-09-04T14:46:16.904360Z",
"structure_string": "Sb4 Te2\n1.0\n-3.963999 3.963999 3.071091\n3.963999 -3.963999 3.071091\n3.963999 3.963999 -3.071091\nSb Te\n4 2\ndirect\n0.125000 0.875000 0.250000 Sb\n0.625000 0.875000 0.750000 Sb\n0.125000 0.375000 0.250000 Sb\n0.125000 0.875000 0.750000 Sb\n0.750000 0.250000 0.500000 Te\n0.500000 0.500000 0.000000 Te\n",
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{
"id": "mp-1023963",
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"structure_string": "Te2 Mo1 W1 S2\n1.0\n1.681735 -2.912851 0.000000\n1.681735 2.912851 0.000000\n0.000000 0.000000 23.919233\nTe Mo W S\n2 1 1 2\ndirect\n0.666667 0.333333 0.070998 Te\n0.666667 0.333333 0.229932 Te\n0.666667 0.333333 0.451410 Mo\n0.333333 0.666667 0.150435 W\n0.333333 0.666667 0.514635 S\n0.333333 0.666667 0.388195 S\n",
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{
"id": "mp-22274",
"created_at": "2022-09-04T14:44:16.689966Z",
"structure_string": "Ho2 Ti2 Si2\n1.0\n4.020942 0.000000 0.000000\n0.000000 4.020942 0.000000\n0.000000 0.000000 7.540749\nHo Ti Si\n2 2 2\ndirect\n0.000000 0.500000 0.344315 Ho\n0.500000 0.000000 0.655685 Ho\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.500000 0.760645 Si\n0.500000 0.000000 0.239355 Si\n",
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"volume": 121.9186380508755,
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"formula_full": "Ho2 Ti2 Si2",
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"spacegroup": 129
},
{
"id": "mp-989190",
"created_at": "2022-09-04T14:47:12.601783Z",
"structure_string": "Sc2 Br2 O2\n1.0\n3.635576 0.000000 0.000000\n0.000000 3.635576 0.000000\n0.000000 0.000000 8.568888\nSc Br O\n2 2 2\ndirect\n0.000000 0.500000 0.121302 Sc\n0.500000 0.000000 0.878698 Sc\n0.000000 0.500000 0.682025 Br\n0.500000 0.000000 0.317975 Br\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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"formula_full": "Sc2 Br2 O2",
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{
"id": "mp-721047",
"created_at": "2022-09-04T14:46:32.735995Z",
"structure_string": "Ca2 H16 Cl4 O8\n1.0\n6.427070 0.000000 0.000000\n-2.272245 6.106556 0.000000\n-1.174432 -0.818561 8.471883\nCa H Cl O\n2 16 4 8\ndirect\n0.988385 0.123042 0.255981 Ca\n0.011615 0.876958 0.744019 Ca\n0.811362 0.673864 0.077044 H\n0.188638 0.326136 0.922956 H\n0.651575 0.793382 0.009955 H\n0.348425 0.206618 0.990045 H\n0.441548 0.077811 0.322890 H\n0.558452 0.922189 0.677110 H\n0.298175 0.899485 0.180674 H\n0.701825 0.100515 0.819326 H\n0.406772 0.546186 0.341208 H\n0.593228 0.453814 0.658792 H\n0.298038 0.537492 0.165117 H\n0.701962 0.462508 0.834883 H\n0.757017 0.401914 0.403960 H\n0.242983 0.598086 0.596040 H\n0.768590 0.223026 0.521505 H\n0.231410 0.776974 0.478495 H\n0.704216 0.290565 0.045299 Cl\n0.295784 0.709435 0.954701 Cl\n0.771292 0.742410 0.420868 Cl\n0.228708 0.257590 0.579132 Cl\n0.813062 0.818267 0.045775 O\n0.186938 0.181733 0.954225 O\n0.286725 0.977162 0.278388 O\n0.713275 0.022838 0.721612 O\n0.269504 0.470566 0.265135 O\n0.730496 0.529434 0.734865 O\n0.739468 0.244670 0.408892 O\n0.260532 0.755329 0.591108 O\n",
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{
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{
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{
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"structure_string": "Sm8 Th4 S20\n1.0\n7.527083 0.000000 0.000000\n0.000000 8.165791 0.000000\n0.000000 0.000000 12.002592\nSm Th S\n8 4 20\ndirect\n0.518395 0.499321 0.321262 Sm\n0.981605 0.000679 0.821262 Sm\n0.481605 0.999321 0.678738 Sm\n0.018395 0.500679 0.178738 Sm\n0.481605 0.500679 0.678738 Sm\n0.018395 0.999321 0.178738 Sm\n0.518395 0.000679 0.321262 Sm\n0.981605 0.499321 0.821262 Sm\n0.076106 0.750000 0.490536 Th\n0.423894 0.750000 0.990536 Th\n0.923894 0.250000 0.509464 Th\n0.576106 0.250000 0.009464 Th\n0.836215 0.956369 0.602181 S\n0.663785 0.543631 0.102181 S\n0.163785 0.456369 0.397819 S\n0.336215 0.043631 0.897819 S\n0.163785 0.043631 0.397819 S\n0.336215 0.456369 0.897819 S\n0.836215 0.543631 0.602181 S\n0.663785 0.956369 0.102181 S\n0.827153 0.750000 0.312289 S\n0.672847 0.750000 0.812289 S\n0.172847 0.250000 0.687711 S\n0.327153 0.250000 0.187711 S\n0.460495 0.750000 0.499843 S\n0.039505 0.750000 0.999843 S\n0.539505 0.250000 0.500157 S\n0.960495 0.250000 0.000157 S\n0.200609 0.750000 0.717973 S\n0.299391 0.750000 0.217973 S\n0.799391 0.250000 0.282027 S\n0.700609 0.250000 0.782027 S\n",
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{
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"structure_string": "In1 Ga3 N4\n1.0\n1.652803 -2.862739 0.000000\n1.652803 2.862739 0.000000\n0.000000 0.000000 10.825164\nIn Ga N\n1 3 4\ndirect\n0.666667 0.333333 0.998534 In\n0.333333 0.666667 0.259491 Ga\n0.333333 0.666667 0.738009 Ga\n0.666667 0.333333 0.498224 Ga\n0.333333 0.666667 0.079963 N\n0.333333 0.666667 0.555965 N\n0.666667 0.333333 0.316436 N\n0.666667 0.333333 0.795179 N\n",
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]
}