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{
"id": "mp-567148",
"created_at": "2022-09-04T14:47:20.161301Z",
"structure_string": "Cr1 B6 H16\n1.0\n4.468675 -0.016136 -0.240888\n-2.236026 5.217396 -1.550449\n0.098914 -0.069633 8.988439\nCr B H\n1 6 16\ndirect\n0.000000 0.500000 0.500000 Cr\n0.312482 0.611897 0.304715 B\n0.687518 0.388103 0.695285 B\n0.110882 0.335627 0.132296 B\n0.265967 0.308376 0.312877 B\n0.889118 0.664373 0.867704 B\n0.734033 0.691624 0.687123 B\n0.256125 0.308589 0.023977 H\n0.410356 0.235404 0.668734 H\n0.518584 0.284310 0.341950 H\n0.141949 0.715440 0.382866 H\n0.873618 0.870775 0.814407 H\n0.481416 0.715690 0.658050 H\n0.858051 0.284560 0.617134 H\n0.201903 0.607902 0.171382 H\n0.179669 0.738228 0.897505 H\n0.743875 0.691411 0.976023 H\n0.820331 0.261772 0.102495 H\n0.073357 0.214283 0.399200 H\n0.926643 0.785717 0.600800 H\n0.126382 0.129225 0.185593 H\n0.798097 0.392098 0.828618 H\n0.589644 0.764596 0.331266 H\n",
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{
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"formula_full": "Cr1 B4 Mo1",
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"updated_at": "2021-11-28T01:35:58.024000Z",
"spacegroup": 191
},
{
"id": "mp-1226227",
"created_at": "2022-09-04T14:44:13.536829Z",
"structure_string": "Cr1 B4 Mo1\n1.0\n-1.506663 2.608736 3.157485\n1.506663 -2.608736 3.157485\n1.506663 2.608736 -3.157485\nCr B Mo\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Cr\n0.079610 0.746218 0.333392 B\n0.587174 0.253782 0.333392 B\n0.920390 0.253782 0.666608 B\n0.412826 0.746218 0.666608 B\n0.500000 0.500000 0.000000 Mo\n",
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"elements": [
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"density": 6.395054351960978,
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"volume": 49.64180245147536,
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"formula_full": "Cr1 B4 Mo1",
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{
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"created_at": "2022-09-04T14:39:23.038564Z",
"structure_string": "Cr1 B4\n1.0\n-1.426493 2.374709 2.744175\n1.426493 -2.374709 2.744175\n1.426493 2.374709 -2.744175\nCr B\n1 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.537472 0.342198 0.195274 B\n0.146924 0.342198 0.804726 B\n0.853076 0.657802 0.195274 B\n0.462528 0.657802 0.804726 B\n",
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"elements": [
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"formula_full": "Cr1 B4",
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{
"id": "mp-1226242",
"created_at": "2022-09-04T14:39:33.526006Z",
"structure_string": "Cr1 B2 W1\n1.0\n1.539803 -4.113893 0.000000\n1.539803 4.113893 0.000000\n0.000000 0.000000 3.012566\nCr B W\n1 2 1\ndirect\n0.858263 0.141737 0.000000 Cr\n0.435022 0.564978 0.500000 B\n0.557833 0.442167 0.000000 B\n0.148883 0.851117 0.500000 W\n",
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"formula_full": "Cr1 B2 W1",
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"updated_at": "2021-11-28T01:34:27.126000Z",
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{
"id": "mp-1226228",
"created_at": "2022-09-04T14:43:11.257042Z",
"structure_string": "Cr1 B2 Mo1\n1.0\n1.530770 -4.116072 0.000000\n1.530770 4.116072 0.000000\n0.000000 0.000000 3.009994\nCr B Mo\n1 2 1\ndirect\n0.859570 0.140430 0.500000 Cr\n0.435250 0.564750 0.000000 B\n0.556357 0.443643 0.500000 B\n0.148823 0.851177 0.000000 Mo\n",
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"density": 7.422993973315626,
"density_atomic": 0.10545604033870762,
"volume": 37.93049679423437,
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"formula_full": "Cr1 B2 Mo1",
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"formula_anonymous": "ABC2",
"energy": -35.75732761,
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"updated_at": "2021-11-28T01:36:05.264000Z",
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{
"id": "mp-374",
"created_at": "2022-09-04T14:46:59.336598Z",
"structure_string": "Cr1 B2\n1.0\n1.479644 -2.562819 0.000000\n1.479644 2.562819 0.000000\n0.000000 0.000000 3.031871\nCr B\n1 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.333333 0.666667 0.500000 B\n0.666667 0.333333 0.500000 B\n",
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{
"id": "mp-1070789",
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"structure_string": "Cr1 Au4\n1.0\n-3.265104 3.265104 2.054650\n3.265104 -3.265104 2.054650\n3.265104 3.265104 -2.054650\nCr Au\n1 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.397415 0.203453 0.600868 Au\n0.602585 0.796547 0.399132 Au\n0.796547 0.397415 0.193962 Au\n0.203453 0.602585 0.806038 Au\n",
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{
"id": "mp-7113",
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"structure_string": "Cr1 Au1 S2\n1.0\n7.219075 -1.777537 0.000000\n7.219075 1.777537 0.000000\n6.781396 0.000000 3.047515\nCr Au S\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Au\n0.891559 0.891559 0.891559 S\n0.108441 0.108441 0.108441 S\n",
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{
"id": "mp-1226221",
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{
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{
"id": "mp-1183721",
"created_at": "2022-09-04T14:45:22.828385Z",
"structure_string": "Cr1 Ag3\n1.0\n-2.064698 2.064698 4.149206\n2.064698 -2.064698 4.149206\n2.064698 2.064698 -4.149206\nCr Ag\n1 3\ndirect\n0.000000 0.000000 0.000000 Cr\n0.750000 0.250000 0.500000 Ag\n0.250000 0.750000 0.500000 Ag\n0.500000 0.500000 0.000000 Ag\n",
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"updated_at": "2021-11-28T01:37:02.545000Z",
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}
]
}