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{
"id": "mp-20241",
"created_at": "2022-09-04T14:40:33.250917Z",
"structure_string": "Mg4 P6 Rh7\n1.0\n-3.958611 3.958611 3.958611\n3.958611 -3.958611 3.958611\n3.958611 3.958611 -3.958611\nMg P Rh\n4 6 7\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.318903 0.000000 0.318903 P\n0.681097 0.000000 0.681097 P\n0.000000 0.681097 0.681097 P\n0.000000 0.318903 0.318903 P\n0.681097 0.681097 0.000000 P\n0.318903 0.318903 0.000000 P\n0.000000 0.000000 0.000000 Rh\n0.250000 0.750000 0.500000 Rh\n0.250000 0.500000 0.750000 Rh\n0.500000 0.750000 0.250000 Rh\n0.500000 0.250000 0.750000 Rh\n0.750000 0.250000 0.500000 Rh\n0.750000 0.500000 0.250000 Rh\n",
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{
"id": "mp-1106353",
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"structure_string": "Er4 Ge6 Rh7\n1.0\n-4.188529 4.188529 4.188529\n4.188529 -4.188529 4.188529\n4.188529 4.188529 -4.188529\nEr Ge Rh\n4 6 7\ndirect\n0.000000 0.000000 0.500000 Er\n0.000000 0.500000 0.000000 Er\n0.500000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 Er\n0.681431 0.681431 0.000000 Ge\n0.318569 0.000000 0.318569 Ge\n0.000000 0.318569 0.318569 Ge\n0.318569 0.318569 0.000000 Ge\n0.681431 0.000000 0.681431 Ge\n0.000000 0.681431 0.681431 Ge\n0.750000 0.250000 0.500000 Rh\n0.750000 0.500000 0.250000 Rh\n0.500000 0.250000 0.750000 Rh\n0.250000 0.500000 0.750000 Rh\n0.250000 0.750000 0.500000 Rh\n0.500000 0.750000 0.250000 Rh\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 17,
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"elements": [
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],
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"density": 10.311419040814474,
"density_atomic": 0.05783681247601314,
"volume": 293.9304445079934,
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"formula_full": "Er4 Ge6 Rh7",
"formula_reduced": "Er4Ge6Rh7",
"formula_anonymous": "A4B6C7",
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"updated_at": "2021-11-28T01:36:47.688000Z",
"spacegroup": 229
},
{
"id": "mp-1105882",
"created_at": "2022-09-04T14:42:27.109396Z",
"structure_string": "Tb4 Sb6 Rh7\n1.0\n-4.404181 -4.404181 4.404181\n-4.404181 4.404181 -4.404181\n4.404181 -4.404181 -4.404181\nTb Sb Rh\n4 6 7\ndirect\n0.500000 0.000000 0.000000 Tb\n0.000000 0.500000 0.000000 Tb\n0.000000 0.000000 0.500000 Tb\n0.500000 0.500000 0.500000 Tb\n0.000000 0.317458 0.317458 Sb\n0.682542 0.000000 0.682542 Sb\n0.682542 0.682542 0.000000 Sb\n0.000000 0.682542 0.682542 Sb\n0.317458 0.000000 0.317458 Sb\n0.317458 0.317458 0.000000 Sb\n0.000000 0.000000 0.000000 Rh\n0.500000 0.750000 0.250000 Rh\n0.750000 0.500000 0.250000 Rh\n0.250000 0.750000 0.500000 Rh\n0.250000 0.500000 0.750000 Rh\n0.500000 0.250000 0.750000 Rh\n0.750000 0.250000 0.500000 Rh\n",
"nsites": 17,
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"elements": [
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"Sb",
"Rh"
],
"chemical_system": "Rh-Sb-Tb",
"density": 10.139879906034553,
"density_atomic": 0.049750042151374865,
"volume": 341.70825319652914,
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"formula_full": "Tb4 Sb6 Rh7",
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"formula_anonymous": "A4B6C7",
"energy": -109.90527903,
"energy_per_atom": -6.465016413529412,
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"updated_at": "2021-11-28T01:35:48.251000Z",
"spacegroup": 229
},
{
"id": "mp-1189287",
"created_at": "2022-09-04T14:42:01.969621Z",
"structure_string": "Er4 Ge6 Os7\n1.0\n-4.170829 4.170829 4.170829\n4.170829 -4.170829 4.170829\n4.170829 4.170829 -4.170829\nEr Ge Os\n4 6 7\ndirect\n0.000000 0.000000 0.500000 Er\n0.000000 0.500000 0.000000 Er\n0.500000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 Er\n0.690166 0.690166 0.000000 Ge\n0.309834 0.000000 0.309834 Ge\n0.000000 0.309834 0.309834 Ge\n0.309834 0.309834 0.000000 Ge\n0.690166 0.000000 0.690166 Ge\n0.000000 0.690166 0.690166 Ge\n0.750000 0.250000 0.500000 Os\n0.750000 0.500000 0.250000 Os\n0.500000 0.250000 0.750000 Os\n0.250000 0.500000 0.750000 Os\n0.250000 0.750000 0.500000 Os\n0.500000 0.750000 0.250000 Os\n0.000000 0.000000 0.000000 Os\n",
"nsites": 17,
"nelements": 3,
"elements": [
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"Ge",
"Os"
],
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"density": 13.940741452082454,
"density_atomic": 0.05857627850058386,
"volume": 290.2198711690186,
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"formula_full": "Er4 Ge6 Os7",
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"energy": -131.8977603,
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"updated_at": "2021-11-28T01:35:36.718000Z",
"spacegroup": 229
},
{
"id": "mp-541403",
"created_at": "2022-09-04T14:41:59.507310Z",
"structure_string": "Hg14 P8 Br12\n1.0\n20.288184 0.000000 0.000000\n0.000000 6.190736 0.000000\n0.000000 1.853185 7.514455\nHg P Br\n14 8 12\ndirect\n0.000000 0.000000 0.000000 Hg\n0.500000 0.000000 0.500000 Hg\n0.862717 0.492455 0.921426 Hg\n0.362717 0.507545 0.578574 Hg\n0.137283 0.507545 0.078574 Hg\n0.637283 0.492455 0.421426 Hg\n0.767867 0.909610 0.188160 Hg\n0.267867 0.090390 0.311840 Hg\n0.232133 0.090390 0.811840 Hg\n0.732133 0.909610 0.688160 Hg\n0.911632 0.217111 0.508760 Hg\n0.411632 0.782889 0.991240 Hg\n0.088368 0.782889 0.491240 Hg\n0.588368 0.217111 0.008760 Hg\n0.897410 0.142424 0.835918 P\n0.397410 0.857576 0.664082 P\n0.102590 0.857576 0.164082 P\n0.602590 0.142424 0.335918 P\n0.822415 0.877180 0.909814 P\n0.322415 0.122820 0.590186 P\n0.177585 0.122820 0.090186 P\n0.677585 0.877180 0.409814 P\n0.979787 0.399304 0.221893 Br\n0.479787 0.600696 0.278107 Br\n0.020213 0.600696 0.778107 Br\n0.520213 0.399304 0.721893 Br\n0.788475 0.362155 0.294297 Br\n0.288475 0.637845 0.205703 Br\n0.211525 0.637845 0.705703 Br\n0.711525 0.362155 0.794297 Br\n0.887707 0.814139 0.418019 Br\n0.387707 0.185861 0.081981 Br\n0.112293 0.185861 0.581981 Br\n0.612293 0.814139 0.918019 Br\n",
"nsites": 34,
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"elements": [
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"P",
"Br"
],
"chemical_system": "Br-Hg-P",
"density": 7.063837126203801,
"density_atomic": 0.03602433477081387,
"volume": 943.8064635005019,
"volume_molar": 16.71686874528772,
"formula_full": "Hg14 P8 Br12",
"formula_reduced": "Hg7(P2Br3)2",
"formula_anonymous": "A4B6C7",
"energy": -82.98543483,
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"updated_at": "2021-11-28T01:35:38.131000Z",
"spacegroup": 14
},
{
"id": "mp-1332806",
"created_at": "2022-09-04T14:44:27.306247Z",
"structure_string": "Rb6 Al4 Sb6 O21\n1.0\n2.889080 15.563855 0.000000\n-2.889080 15.563855 0.000000\n0.000000 0.045118 8.728415\nRb Al Sb O\n6 4 6 21\ndirect\n0.883715 0.883715 0.615352 Rb\n0.555961 0.555961 0.590884 Rb\n0.226261 0.226261 0.606524 Rb\n0.444039 0.444039 0.409116 Rb\n0.116285 0.116285 0.384648 Rb\n0.773739 0.773739 0.393476 Rb\n0.336873 0.336873 0.204328 Al\n0.997646 0.997646 0.197967 Al\n0.002354 0.002354 0.802033 Al\n0.663127 0.663127 0.795672 Al\n0.446202 0.446202 0.832747 Sb\n0.109462 0.109462 0.847382 Sb\n0.775530 0.775530 0.849730 Sb\n0.890538 0.890538 0.152618 Sb\n0.553798 0.553798 0.167253 Sb\n0.224470 0.224470 0.150270 Sb\n0.613080 0.114602 0.274386 O\n0.273348 0.773281 0.276465 O\n0.994319 0.403587 0.305075 O\n0.226719 0.726652 0.723535 O\n0.885398 0.386920 0.725614 O\n0.596413 0.005681 0.694925 O\n0.114602 0.613080 0.274386 O\n0.773281 0.273348 0.276465 O\n0.403587 0.994319 0.305075 O\n0.943926 0.943926 0.273378 O\n0.604393 0.604393 0.290529 O\n0.281717 0.281717 0.255143 O\n0.726652 0.226719 0.723535 O\n0.386920 0.885398 0.725614 O\n0.005681 0.596413 0.694925 O\n0.328706 0.328706 0.001219 O\n0.000000 0.000000 0.000000 O\n0.671294 0.671294 0.998781 O\n0.395607 0.395607 0.709471 O\n0.056074 0.056074 0.726622 O\n0.718283 0.718283 0.744857 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
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],
"chemical_system": "Al-O-Rb-Sb",
"density": 3.5693917936558965,
"density_atomic": 0.04713674589603709,
"volume": 784.9502399169792,
"volume_molar": 12.775894146961676,
"formula_full": "Rb6 Al4 Sb6 O21",
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"energy": -223.34774154,
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"spacegroup": 12
},
{
"id": "mp-555866",
"created_at": "2022-09-04T14:42:12.218495Z",
"structure_string": "K12 Be8 C12 O38\n1.0\n7.094654 -7.194597 0.000000\n7.094654 7.194597 0.000000\n-0.201293 0.000000 10.102268\nK Be C O\n12 8 12 38\ndirect\n0.326091 0.820068 0.976721 K\n0.673909 0.179932 0.023279 K\n0.858827 0.351983 0.467365 K\n0.976721 0.326091 0.820068 K\n0.648017 0.532635 0.141173 K\n0.141173 0.648017 0.532635 K\n0.820068 0.976721 0.326091 K\n0.351983 0.467365 0.858827 K\n0.532635 0.141173 0.648017 K\n0.467365 0.858827 0.351983 K\n0.023279 0.673909 0.179932 K\n0.179932 0.023279 0.673909 K\n0.685833 0.838767 0.629008 Be\n0.370992 0.314167 0.161233 Be\n0.153020 0.153020 0.153020 Be\n0.629008 0.685833 0.838767 Be\n0.846980 0.846980 0.846980 Be\n0.838767 0.629008 0.685833 Be\n0.314167 0.161233 0.370992 Be\n0.161233 0.370992 0.314167 Be\n0.026075 0.664379 0.869673 C\n0.787854 0.689515 0.439659 C\n0.689515 0.439659 0.787854 C\n0.212146 0.310485 0.560341 C\n0.310485 0.560341 0.212146 C\n0.130327 0.973925 0.335621 C\n0.560341 0.212146 0.310485 C\n0.869673 0.026075 0.664379 C\n0.973925 0.335621 0.130327 C\n0.335621 0.130327 0.973925 C\n0.664379 0.869673 0.026075 C\n0.439659 0.787854 0.689515 C\n0.871404 0.380472 0.073104 O\n0.798968 0.663854 0.317258 O\n0.201032 0.336146 0.682742 O\n0.380472 0.073104 0.871404 O\n0.251114 0.251114 0.251114 O\n0.527262 0.869483 0.639500 O\n0.041862 0.240469 0.074839 O\n0.336146 0.682742 0.201032 O\n0.231511 0.518713 0.305331 O\n0.245325 0.014678 0.384865 O\n0.317258 0.798968 0.663854 O\n0.073104 0.871404 0.380472 O\n0.305331 0.231511 0.518713 O\n0.074839 0.041862 0.240469 O\n0.518713 0.305331 0.231511 O\n0.130517 0.360500 0.472738 O\n0.481287 0.694669 0.768489 O\n0.768489 0.481287 0.694669 O\n0.869483 0.639500 0.527262 O\n0.759531 0.925161 0.958138 O\n0.615135 0.754675 0.985322 O\n0.694669 0.768489 0.481287 O\n0.619528 0.926896 0.128596 O\n0.925161 0.958138 0.759531 O\n0.748886 0.748886 0.748886 O\n0.360500 0.472738 0.130517 O\n0.958138 0.759531 0.925161 O\n0.926896 0.128596 0.619528 O\n0.128596 0.619528 0.926896 O\n0.014678 0.384865 0.245325 O\n0.985322 0.615135 0.754675 O\n0.240469 0.074839 0.041862 O\n0.472738 0.130517 0.360500 O\n0.384865 0.245325 0.014678 O\n0.682742 0.201032 0.336146 O\n0.639500 0.527262 0.869483 O\n0.663854 0.317258 0.798968 O\n0.754675 0.985322 0.615135 O\n",
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"elements": [
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],
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"density": 2.0825218014357887,
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"volume": 1031.3036948137274,
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"formula_full": "K12 Be8 C12 O38",
"formula_reduced": "K6Be4C6O19",
"formula_anonymous": "A4B6C6D19",
"energy": -504.86925048,
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},
{
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{
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"elements": [
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],
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]
}