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{
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"results": [
{
"id": "mp-1018055",
"created_at": "2022-09-04T14:40:21.932744Z",
"structure_string": "Hf2 Ir2\n1.0\n3.066005 0.000000 0.000000\n0.000000 4.664248 0.000000\n0.000000 0.000000 4.951987\nHf Ir\n2 2\ndirect\n0.500000 0.250000 0.268654 Hf\n0.500000 0.750000 0.731346 Hf\n0.000000 0.750000 0.206072 Ir\n0.000000 0.250000 0.793928 Ir\n",
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{
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"structure_string": "Ti5 Re24\n1.0\n-4.826369 4.826369 4.826369\n4.826369 -4.826369 4.826369\n4.826369 4.826369 -4.826369\nTi Re\n5 24\ndirect\n0.000000 0.000000 0.000000 Ti\n0.632303 0.000000 0.000000 Ti\n0.000000 0.632303 0.000000 Ti\n0.000000 0.000000 0.632303 Ti\n0.367697 0.367697 0.367697 Ti\n0.398811 0.681503 0.000000 Re\n0.717308 0.318497 0.318497 Re\n0.398811 0.000000 0.681503 Re\n0.681503 0.398811 0.000000 Re\n0.000000 0.398811 0.681503 Re\n0.318497 0.717308 0.318497 Re\n0.318497 0.318497 0.717308 Re\n0.000000 0.681503 0.398811 Re\n0.681503 0.000000 0.398811 Re\n0.601189 0.601189 0.282692 Re\n0.282692 0.601189 0.601189 Re\n0.601189 0.282692 0.601189 Re\n0.374884 0.193189 0.000000 Re\n0.181695 0.806811 0.806811 Re\n0.374884 0.000000 0.193189 Re\n0.193189 0.374884 0.000000 Re\n0.000000 0.374884 0.193189 Re\n0.806811 0.181695 0.806811 Re\n0.806811 0.806811 0.181695 Re\n0.000000 0.193189 0.374884 Re\n0.193189 0.000000 0.374884 Re\n0.625116 0.625116 0.818305 Re\n0.818305 0.625116 0.625116 Re\n0.625116 0.818305 0.625116 Re\n",
"nsites": 29,
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"elements": [
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"density": 17.38569039787602,
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"formula_full": "Ti5 Re24",
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"updated_at": "2021-11-28T01:39:10.157000Z",
"spacegroup": 217
},
{
"id": "mp-952",
"created_at": "2022-09-04T14:48:01.734066Z",
"structure_string": "Mo1 Pt2\n1.0\n-1.382593 2.001517 4.193399\n1.382593 -2.001517 4.193399\n1.382593 2.001517 -4.193399\nMo Pt\n1 2\ndirect\n0.000000 0.000000 0.000000 Mo\n0.663768 0.663768 0.000000 Pt\n0.336232 0.336232 0.000000 Pt\n",
"nsites": 3,
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"elements": [
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"density": 17.39009883847262,
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"volume": 46.417293661436695,
"volume_molar": 9.31771587091425,
"formula_full": "Mo1 Pt2",
"formula_reduced": "MoPt2",
"formula_anonymous": "AB2",
"energy": -24.057265390000005,
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"updated_at": "2021-11-28T01:38:24.773000Z",
"spacegroup": 71
},
{
"id": "mp-20971",
"created_at": "2022-09-04T14:41:53.743852Z",
"structure_string": "Sn1 Pt3\n1.0\n4.065812 0.000000 0.000000\n0.000000 4.065812 0.000000\n0.000000 0.000000 4.065812\nSn Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
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"elements": [
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"density": 17.392276612742958,
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"volume": 67.21123567833547,
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"formula_full": "Sn1 Pt3",
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"formula_anonymous": "AB3",
"energy": -23.73028416,
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"updated_at": "2021-11-28T01:35:37.272000Z",
"spacegroup": 221
},
{
"id": "mp-1187219",
"created_at": "2022-09-04T14:48:28.219239Z",
"structure_string": "Ta3 Pt1\n1.0\n4.128618 0.000000 0.000000\n0.000000 4.128618 0.000000\n0.000000 0.000000 4.128618\nTa Pt\n3 1\ndirect\n0.000000 0.500000 0.500000 Ta\n0.500000 0.000000 0.500000 Ta\n0.500000 0.500000 0.000000 Ta\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Pt-Ta",
"density": 17.41200447596201,
"density_atomic": 0.05683892903332894,
"volume": 70.37430275391887,
"volume_molar": 10.595098926773877,
"formula_full": "Ta3 Pt1",
"formula_reduced": "Ta3Pt",
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"energy": -42.5757307,
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"updated_at": "2021-11-28T01:39:27.800000Z",
"spacegroup": 221
},
{
"id": "mp-1219534",
"created_at": "2022-09-04T14:43:39.332153Z",
"structure_string": "Re2 B2 W2\n1.0\n2.767693 -2.767693 -2.355825\n-2.785225 -2.785225 2.355825\n-2.785225 -2.785225 -2.355825\nRe B W\n2 2 2\ndirect\n0.500000 0.329944 0.829944 Re\n0.500000 0.670056 0.170056 Re\n0.000000 0.250000 0.750000 B\n0.000000 0.750000 0.250000 B\n0.165278 0.832639 0.667361 W\n0.834722 0.167361 0.332639 W\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"B",
"W"
],
"chemical_system": "B-Re-W",
"density": 17.41249312713184,
"density_atomic": 0.08259809532452361,
"volume": 72.64090020994205,
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"formula_full": "Re2 B2 W2",
"formula_reduced": "ReBW",
"formula_anonymous": "ABC",
"energy": -65.51271972,
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"updated_at": "2021-11-28T01:36:15.479000Z",
"spacegroup": 69
},
{
"id": "mp-861978",
"created_at": "2022-09-04T14:45:13.752915Z",
"structure_string": "Hf2 Re1 Ir1\n1.0\n0.000000 3.272129 3.272129\n3.272129 0.000000 3.272129\n3.272129 3.272129 0.000000\nHf Re Ir\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Hf\n0.250000 0.250000 0.250000 Hf\n0.000000 0.000000 0.000000 Re\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 4,
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"elements": [
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"Re",
"Ir"
],
"chemical_system": "Hf-Ir-Re",
"density": 17.428252318279327,
"density_atomic": 0.0570872003403543,
"volume": 70.0682460543164,
"volume_molar": 10.5490210136352,
"formula_full": "Hf2 Re1 Ir1",
"formula_reduced": "Hf2ReIr",
"formula_anonymous": "ABC2",
"energy": -44.19172517,
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"updated_at": "2021-11-28T01:36:53.125000Z",
"spacegroup": 225
},
{
"id": "mp-1180",
"created_at": "2022-09-04T14:48:07.061873Z",
"structure_string": "Mn1 Pt3\n1.0\n3.936087 0.000000 0.000000\n0.000000 3.936087 0.000000\n0.000000 0.000000 3.936087\nMn Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n",
"nsites": 4,
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"elements": [
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"density": 17.432671505765754,
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"volume": 60.98093338243142,
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"formula_full": "Mn1 Pt3",
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"energy": -28.79002885,
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"updated_at": "2021-11-28T01:38:25.823000Z",
"spacegroup": 221
},
{
"id": "mp-567590",
"created_at": "2022-09-04T14:42:44.578584Z",
"structure_string": "Lu4 Os8\n1.0\n2.635762 -4.565273 0.000000\n2.635762 4.565273 0.000000\n0.000000 0.000000 8.789404\nLu Os\n4 8\ndirect\n0.333333 0.666667 0.434178 Lu\n0.666667 0.333333 0.565822 Lu\n0.666667 0.333333 0.934178 Lu\n0.333333 0.666667 0.065822 Lu\n0.172462 0.344925 0.750000 Os\n0.172462 0.827538 0.750000 Os\n0.344925 0.172462 0.250000 Os\n0.827538 0.655075 0.250000 Os\n0.655075 0.827538 0.750000 Os\n0.000000 0.000000 0.000000 Os\n0.827538 0.172462 0.250000 Os\n0.000000 0.000000 0.500000 Os\n",
"nsites": 12,
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"elements": [
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"density": 17.44109340925851,
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"volume": 211.5253236714702,
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"formula_full": "Lu4 Os8",
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"energy": -112.57284169,
"energy_per_atom": -9.381070140833334,
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{
"id": "mp-20516",
"created_at": "2022-09-04T14:41:51.856042Z",
"structure_string": "In1 Pt3\n1.0\n4.054231 0.000000 0.000000\n0.000000 4.054231 0.000000\n0.000000 0.000000 4.054231\nIn Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 Pt\n0.500000 0.000000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n",
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{
"id": "mp-865270",
"created_at": "2022-09-04T14:45:14.031670Z",
"structure_string": "Tm1 Ta1 Os2\n1.0\n0.000000 3.263347 3.263347\n3.263347 0.000000 3.263347\n3.263347 3.263347 0.000000\nTm Ta Os\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Tm\n0.000000 0.000000 0.000000 Ta\n0.750000 0.750000 0.750000 Os\n0.250000 0.250000 0.250000 Os\n",
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{
"id": "mp-866022",
"created_at": "2022-09-04T14:45:17.452726Z",
"structure_string": "Cd1 Pt3\n1.0\n4.048821 0.000000 0.000000\n0.000000 4.048821 0.000000\n0.000000 0.000000 4.048821\nCd Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Pt\n0.500000 0.000000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n",
"nsites": 4,
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"formula_full": "Cd1 Pt3",
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"updated_at": "2021-11-28T01:36:59.984000Z",
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}
]
}