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{
"id": "mp-1223223",
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{
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{
"id": "mp-582108",
"created_at": "2022-09-04T14:42:03.999900Z",
"structure_string": "Sr42 Cd8 Bi36\n1.0\n9.005065 9.406122 0.000000\n-9.005065 9.406122 0.000000\n0.000000 0.631425 18.470315\nSr Cd Bi\n42 8 36\ndirect\n0.741282 0.402977 0.156309 Sr\n0.003079 0.260039 0.061408 Sr\n0.007989 0.769388 0.575864 Sr\n0.578875 0.927935 0.757663 Sr\n0.758525 0.070408 0.351241 Sr\n0.428458 0.679122 0.381638 Sr\n0.929592 0.241475 0.648759 Sr\n0.593476 0.593476 0.745856 Sr\n0.230612 0.992011 0.424136 Sr\n0.504960 0.181106 0.435410 Sr\n0.181106 0.504960 0.435410 Sr\n0.739961 0.996921 0.938592 Sr\n0.421125 0.072065 0.242337 Sr\n0.250517 0.924109 0.854414 Sr\n0.491071 0.745181 0.944053 Sr\n0.402977 0.741282 0.156309 Sr\n0.495040 0.818894 0.564590 Sr\n0.992011 0.230612 0.424136 Sr\n0.924109 0.250517 0.854414 Sr\n0.241475 0.929592 0.648759 Sr\n0.508929 0.254819 0.055947 Sr\n0.254346 0.254346 0.582261 Sr\n0.070408 0.758525 0.351241 Sr\n0.597023 0.258718 0.843691 Sr\n0.745654 0.745654 0.417739 Sr\n0.769388 0.007989 0.575864 Sr\n0.736106 0.736106 0.094057 Sr\n0.254819 0.508929 0.055947 Sr\n0.260039 0.003079 0.061408 Sr\n0.263894 0.263894 0.905943 Sr\n0.406524 0.406524 0.254144 Sr\n0.927935 0.578875 0.757663 Sr\n0.075891 0.749483 0.145586 Sr\n0.679122 0.428458 0.381638 Sr\n0.745181 0.491071 0.944053 Sr\n0.749483 0.075891 0.145586 Sr\n0.320878 0.571542 0.618362 Sr\n0.818894 0.495040 0.564590 Sr\n0.571542 0.320878 0.618362 Sr\n0.258718 0.597023 0.843691 Sr\n0.072065 0.421125 0.242337 Sr\n0.996921 0.739961 0.938592 Sr\n0.610105 0.856993 0.246780 Cd\n0.997827 0.997827 0.790631 Cd\n0.844960 0.844960 0.753214 Cd\n0.002173 0.002173 0.209369 Cd\n0.856993 0.610105 0.246780 Cd\n0.389895 0.143007 0.753220 Cd\n0.155040 0.155040 0.246786 Cd\n0.143007 0.389895 0.753220 Cd\n0.618003 0.618003 0.256196 Bi\n0.760825 0.396642 0.743666 Bi\n0.939615 0.939615 0.059297 Bi\n0.396642 0.760825 0.743666 Bi\n0.739433 0.739433 0.883318 Bi\n0.755786 0.244214 0.000000 Bi\n0.943545 0.542475 0.092651 Bi\n0.748548 0.748548 0.623807 Bi\n0.049252 0.049252 0.565531 Bi\n0.782710 0.079387 0.756599 Bi\n0.463482 0.463482 0.923601 Bi\n0.152827 0.152827 0.746918 Bi\n0.244943 0.755057 0.500000 Bi\n0.920613 0.217290 0.243401 Bi\n0.251452 0.251452 0.376193 Bi\n0.847173 0.847173 0.253082 Bi\n0.532815 0.928305 0.392812 Bi\n0.381997 0.381997 0.743804 Bi\n0.603358 0.239175 0.256334 Bi\n0.239175 0.603358 0.256334 Bi\n0.060385 0.060385 0.940703 Bi\n0.056455 0.457525 0.907349 Bi\n0.536518 0.536518 0.076399 Bi\n0.071695 0.467185 0.607188 Bi\n0.260567 0.260567 0.116682 Bi\n0.574702 0.574702 0.535638 Bi\n0.928305 0.532815 0.392812 Bi\n0.457525 0.056455 0.907349 Bi\n0.755057 0.244943 0.500000 Bi\n0.244214 0.755786 0.000000 Bi\n0.542475 0.943545 0.092651 Bi\n0.217290 0.920613 0.243401 Bi\n0.425298 0.425298 0.464362 Bi\n0.467185 0.071695 0.607188 Bi\n0.079387 0.782710 0.756599 Bi\n0.950748 0.950748 0.434469 Bi\n",
"nsites": 86,
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"elements": [
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"chemical_system": "Bi-Cd-Sr",
"density": 6.422835866582536,
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"volume": 3128.9725786191393,
"volume_molar": 21.910596863517004,
"formula_full": "Sr42 Cd8 Bi36",
"formula_reduced": "Sr21(Cd2Bi9)2",
"formula_anonymous": "A4B18C21",
"energy": -289.8416835,
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"updated_at": "2021-11-28T01:35:37.423000Z",
"spacegroup": 12
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{
"id": "mp-985707",
"created_at": "2022-09-04T14:42:13.409960Z",
"structure_string": "Co8 Sn24\n1.0\n-3.150568 3.150568 17.048108\n3.150568 -3.150568 17.048108\n3.150568 3.150568 -17.048108\nCo Sn\n8 24\ndirect\n0.460151 0.460151 0.000000 Co\n0.789849 0.289849 0.500000 Co\n0.039849 0.039849 0.000000 Co\n0.210151 0.710151 0.500000 Co\n0.289849 0.789849 0.500000 Co\n0.960151 0.960151 0.000000 Co\n0.710151 0.210151 0.500000 Co\n0.539849 0.539849 0.000000 Co\n0.414586 0.414586 0.329173 Sn\n0.085414 0.085414 0.670827 Sn\n0.835414 0.664586 0.500000 Sn\n0.164586 0.335414 0.500000 Sn\n0.335414 0.835414 0.170827 Sn\n0.664586 0.164586 0.829173 Sn\n0.914586 0.585414 0.000000 Sn\n0.585414 0.914586 0.000000 Sn\n0.985181 0.347563 0.998035 Sn\n0.349528 0.987145 0.001965 Sn\n0.264819 0.762855 0.862382 Sn\n0.900472 0.402437 0.137618 Sn\n0.152437 0.514819 0.001965 Sn\n0.512855 0.150472 0.998035 Sn\n0.737145 0.235181 0.137618 Sn\n0.097563 0.599528 0.862382 Sn\n0.764819 0.902437 0.501965 Sn\n0.400472 0.262855 0.498035 Sn\n0.485181 0.487145 0.637618 Sn\n0.849528 0.847563 0.362382 Sn\n0.597563 0.735181 0.498035 Sn\n0.237145 0.099528 0.501965 Sn\n0.012855 0.014819 0.362382 Sn\n0.652437 0.650472 0.637618 Sn\n",
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},
{
"id": "mp-561294",
"created_at": "2022-09-04T14:42:13.413313Z",
"structure_string": "Sr1 Li2 Nb2 O7\n1.0\n-2.006508 2.006508 9.209421\n2.006508 -2.006508 9.209421\n2.006508 2.006508 -9.209421\nSr Li Nb O\n1 2 2 7\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.250000 0.500000 Li\n0.250000 0.750000 0.500000 Li\n0.384435 0.384435 0.000000 Nb\n0.615565 0.615565 0.000000 Nb\n0.605395 0.105395 0.500000 O\n0.105395 0.605395 0.500000 O\n0.718769 0.718769 0.000000 O\n0.894605 0.394605 0.500000 O\n0.281231 0.281231 0.000000 O\n0.500000 0.500000 0.000000 O\n0.394605 0.894605 0.500000 O\n",
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"formula_full": "Sr1 Li2 Nb2 O7",
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{
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"structure_string": "Ge4 N4 O2\n1.0\n4.878770 2.693398 0.000000\n-4.878770 2.693398 0.000000\n0.000000 1.693777 5.083603\nGe N O\n4 4 2\ndirect\n0.822666 0.333371 0.505292 Ge\n0.503982 0.667991 0.501680 Ge\n0.333371 0.822666 0.005292 Ge\n0.667991 0.503982 0.001680 Ge\n0.586798 0.427115 0.363260 N\n0.212803 0.664025 0.370474 N\n0.427115 0.586798 0.863260 N\n0.664025 0.212803 0.870474 N\n0.049679 0.814901 0.884294 O\n0.814901 0.049679 0.384294 O\n",
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{
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{
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"structure_string": "Sr8 I16\n1.0\n8.037647 0.000000 0.000000\n0.000000 8.320826 0.000000\n0.000000 0.000000 15.582775\nSr I\n8 16\ndirect\n0.723065 0.550266 0.110945 Sr\n0.223065 0.449734 0.389055 Sr\n0.776935 0.050266 0.889055 Sr\n0.276935 0.949734 0.610945 Sr\n0.276935 0.449734 0.889055 Sr\n0.776935 0.550266 0.610945 Sr\n0.223065 0.949734 0.110945 Sr\n0.723065 0.050266 0.389055 Sr\n0.840848 0.891779 0.203197 I\n0.340848 0.108221 0.296803 I\n0.659152 0.391779 0.796803 I\n0.159152 0.608221 0.703197 I\n0.159152 0.108221 0.796803 I\n0.659152 0.891779 0.703197 I\n0.340848 0.608221 0.203197 I\n0.840848 0.391779 0.296803 I\n0.994700 0.732463 0.968100 I\n0.494700 0.267537 0.531900 I\n0.505300 0.232463 0.031900 I\n0.005300 0.767537 0.468100 I\n0.005300 0.267537 0.031900 I\n0.505300 0.732463 0.468100 I\n0.494700 0.767537 0.968100 I\n0.994700 0.232463 0.531900 I\n",
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{
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{
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{
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"structure_string": "Tm1 Al1 Cu4\n1.0\n2.556547 -4.428069 0.000000\n2.556547 4.428069 0.000000\n0.000000 0.000000 4.033320\nTm Al Cu\n1 1 4\ndirect\n0.333333 0.666667 0.000000 Tm\n0.666667 0.333333 0.000000 Al\n0.000000 0.000000 0.000000 Cu\n0.331896 0.165948 0.500000 Cu\n0.834052 0.165948 0.500000 Cu\n0.834052 0.668104 0.500000 Cu\n",
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{
"id": "mp-29447",
"created_at": "2022-09-04T14:42:04.041183Z",
"structure_string": "Bi12 Br4 O16\n1.0\n5.819172 0.000000 0.000000\n0.000000 5.840691 0.000000\n0.000000 0.000000 19.309415\nBi Br O\n12 4 16\ndirect\n0.299788 0.701822 0.640709 Bi\n0.799788 0.298178 0.640709 Bi\n0.700212 0.201822 0.140709 Bi\n0.799788 0.201822 0.859291 Bi\n0.700212 0.298178 0.359291 Bi\n0.200212 0.701822 0.359291 Bi\n0.299788 0.798178 0.859291 Bi\n0.200212 0.798178 0.140709 Bi\n0.750000 0.798688 0.500000 Bi\n0.750000 0.701312 0.000000 Bi\n0.250000 0.201312 0.500000 Bi\n0.250000 0.298688 0.000000 Bi\n0.728893 0.750000 0.250000 Br\n0.271107 0.250000 0.750000 Br\n0.771107 0.750000 0.750000 Br\n0.228893 0.250000 0.250000 Br\n0.072318 0.931930 0.436014 O\n0.427682 0.931930 0.563986 O\n0.072318 0.568070 0.063986 O\n0.427682 0.568070 0.936014 O\n0.927682 0.068070 0.563986 O\n0.572318 0.068070 0.436014 O\n0.927682 0.431930 0.936014 O\n0.572318 0.431930 0.063986 O\n0.983834 0.457306 0.412091 O\n0.483834 0.957306 0.087909 O\n0.983834 0.042694 0.087909 O\n0.516166 0.042694 0.912091 O\n0.016166 0.542694 0.587909 O\n0.483834 0.542694 0.412091 O\n0.016166 0.957306 0.912091 O\n0.516166 0.457306 0.587909 O\n",
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"updated_at": "2021-11-28T01:35:38.741000Z",
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}
]
}