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{
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{
"id": "mp-1096049",
"created_at": "2022-09-04T14:46:34.857940Z",
"structure_string": "Cu1 Pd1 Au2\n1.0\n-4.962488 5.307948 7.582735\n4.962488 -5.307948 7.582735\n4.962488 5.307948 -7.582735\nCu Pd Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Pd\n0.000000 0.241541 0.241541 Au\n0.000000 0.758459 0.758459 Au\n",
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{
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"updated_at": "2021-11-28T01:37:25.002000Z",
"spacegroup": 71
},
{
"id": "mp-1096115",
"created_at": "2022-09-04T14:40:10.410840Z",
"structure_string": "Li1 Pd2 Au1\n1.0\n-4.982027 5.331324 7.518913\n4.982027 -5.331324 7.518913\n4.982027 5.331324 -7.518913\nLi Pd Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.236813 0.236813 Pd\n0.000000 0.763187 0.763187 Pd\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Au-Li-Pd",
"density": 0.866295319700479,
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"volume": 798.8333810626455,
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"formula_full": "Li1 Pd2 Au1",
"formula_reduced": "LiPd2Au",
"formula_anonymous": "ABC2",
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"band_gap": 0.1619999999999999,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.275000Z",
"spacegroup": 71
},
{
"id": "mp-1095710",
"created_at": "2022-09-04T14:46:05.323217Z",
"structure_string": "Zr1 Sc1 Rh2\n1.0\n-4.701274 5.478418 7.753052\n4.701274 -5.478418 7.753052\n4.701274 5.478418 -7.753052\nZr Sc Rh\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Sc\n0.000000 0.256298 0.256298 Rh\n0.000000 0.743702 0.743702 Rh\n",
"nsites": 4,
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"elements": [
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"Sc",
"Rh"
],
"chemical_system": "Rh-Sc-Zr",
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"density_atomic": 0.0050079106777258095,
"volume": 798.73629092292,
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"formula_full": "Zr1 Sc1 Rh2",
"formula_reduced": "ZrScRh2",
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"energy_uncorrected": -20.93127363,
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"updated_at": "2021-11-28T01:37:17.728000Z",
"spacegroup": 71
},
{
"id": "mp-1096183",
"created_at": "2022-09-04T14:43:40.710720Z",
"structure_string": "Zr2 Ir1 Rh1\n1.0\n-4.730370 5.464404 7.722857\n4.730370 -5.464404 7.722857\n4.730370 5.464404 -7.722857\nZr Ir Rh\n2 1 1\ndirect\n0.000000 0.249629 0.249629 Zr\n0.000000 0.750371 0.750371 Zr\n0.000000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Rh\n",
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"volume": 798.5017953075635,
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"formula_full": "Zr2 Ir1 Rh1",
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"energy_uncorrected": -22.69609942,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15.503000Z",
"spacegroup": 71
},
{
"id": "mp-1097323",
"created_at": "2022-09-04T14:47:43.760654Z",
"structure_string": "Zr1 Zn1 Co2\n1.0\n-4.595531 5.541403 7.837160\n4.595531 -5.541403 7.837160\n4.595531 5.541403 -7.837160\nZr Zn Co\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Zn\n0.000000 0.269300 0.269300 Co\n0.000000 0.730700 0.730700 Co\n",
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"elements": [
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"Zn",
"Co"
],
"chemical_system": "Co-Zn-Zr",
"density": 0.5709740111517819,
"density_atomic": 0.005010555202539587,
"volume": 798.3147252768734,
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"formula_full": "Zr1 Zn1 Co2",
"formula_reduced": "ZrZnCo2",
"formula_anonymous": "ABC2",
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"energy_uncorrected": -14.56895746,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:17.866000Z",
"spacegroup": 71
},
{
"id": "mp-1093759",
"created_at": "2022-09-04T14:48:22.252571Z",
"structure_string": "Ta2 Nb1 Tc1\n1.0\n-4.630378 5.526097 7.799683\n4.630378 -5.526097 7.799683\n4.630378 5.526097 -7.799683\nTa Nb Tc\n2 1 1\ndirect\n0.000000 0.257541 0.257541 Ta\n0.000000 0.742459 0.742459 Ta\n0.000000 0.000000 0.000000 Nb\n0.000000 0.500000 0.500000 Tc\n",
"nsites": 4,
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"elements": [
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"Nb",
"Tc"
],
"chemical_system": "Nb-Ta-Tc",
"density": 1.1498651714513464,
"density_atomic": 0.005010581123940333,
"volume": 798.3105953295874,
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"formula_full": "Ta2 Nb1 Tc1",
"formula_reduced": "Ta2NbTc",
"formula_anonymous": "ABC2",
"energy": -26.2022152,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:39:03.019000Z",
"spacegroup": 71
},
{
"id": "mp-1093919",
"created_at": "2022-09-04T14:40:24.720430Z",
"structure_string": "Ta2 Ti1 Mo1\n1.0\n-4.665669 5.485735 7.796952\n4.665669 -5.485735 7.796952\n4.665669 5.485735 -7.796952\nTa Ti Mo\n2 1 1\ndirect\n0.000000 0.253799 0.253799 Ta\n0.000000 0.746201 0.746201 Ta\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.500000 Mo\n",
"nsites": 4,
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],
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"density": 1.0519880829482136,
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"volume": 798.240210776971,
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"formula_full": "Ta2 Ti1 Mo1",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:06.503000Z",
"spacegroup": 71
},
{
"id": "mp-1097579",
"created_at": "2022-09-04T14:44:57.261563Z",
"structure_string": "Li1 Al1 Ga2\n1.0\n-5.173162 5.225143 7.382742\n5.173162 -5.225143 7.382742\n5.173162 5.225143 -7.382742\nLi Al Ga\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Al\n0.000000 0.256517 0.256517 Ga\n0.000000 0.743483 0.743483 Ga\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.36065125141098026,
"density_atomic": 0.005011042071546034,
"volume": 798.2371616301155,
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"formula_full": "Li1 Al1 Ga2",
"formula_reduced": "LiAlGa2",
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"updated_at": "2021-11-28T01:36:43.249000Z",
"spacegroup": 71
},
{
"id": "mp-1093591",
"created_at": "2022-09-04T14:46:57.957682Z",
"structure_string": "Hf1 Nb1 Ru2\n1.0\n-4.536108 5.567909 7.898601\n4.536108 -5.567909 7.898601\n4.536108 5.567909 -7.898601\nHf Nb Ru\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Nb\n0.000000 0.243974 0.243974 Ru\n0.000000 0.756026 0.756026 Ru\n",
"nsites": 4,
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"density": 0.9854095463446265,
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"updated_at": "2021-11-28T01:37:50.024000Z",
"spacegroup": 71
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{
"id": "mp-1093951",
"created_at": "2022-09-04T14:45:12.371661Z",
"structure_string": "Nb1 Ga1 Tc2\n1.0\n-4.775666 5.446440 7.669275\n4.775666 -5.446440 7.669275\n4.775666 5.446440 -7.669275\nNb Ga Tc\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Ga\n0.000000 0.265822 0.265822 Tc\n0.000000 0.734178 0.734178 Tc\n",
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"updated_at": "2021-11-28T01:36:55.772000Z",
"spacegroup": 71
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{
"id": "mp-1095922",
"created_at": "2022-09-04T14:39:27.229504Z",
"structure_string": "Ta2 Re1 Pt1\n1.0\n-4.803373 5.426664 7.649312\n4.803373 -5.426664 7.649312\n4.803373 5.426664 -7.649312\nTa Re Pt\n2 1 1\ndirect\n0.000000 0.240610 0.240610 Ta\n0.000000 0.759390 0.759390 Ta\n0.000000 0.000000 0.000000 Re\n0.000000 0.500000 0.500000 Pt\n",
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"volume": 797.5567804990018,
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"formula_full": "Ta2 Re1 Pt1",
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"updated_at": "2021-11-28T01:34:37.124000Z",
"spacegroup": 71
}
]
}