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{
"id": "mp-1093595",
"created_at": "2022-09-04T14:40:24.478115Z",
"structure_string": "Sc1 Pb1 Au2\n1.0\n-5.323281 7.299399 10.162126\n5.323281 -7.299399 10.162126\n5.323281 7.299399 -10.162126\nSc Pb Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Pb\n0.000000 0.239375 0.239375 Au\n0.000000 0.760625 0.760625 Au\n",
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{
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"spacegroup": 71
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{
"id": "mp-1093974",
"created_at": "2022-09-04T14:44:57.167809Z",
"structure_string": "Cr1 Tc1 Ge2\n1.0\n-4.794857 5.067200 7.417911\n4.794857 -5.067200 7.417911\n4.794857 5.067200 -7.417911\nCr Tc Ge\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Tc\n0.000000 0.254238 0.254238 Ge\n0.000000 0.745762 0.745762 Ge\n",
"nsites": 4,
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"density": 0.6801302297341725,
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"volume": 720.9170803581659,
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"formula_full": "Cr1 Tc1 Ge2",
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"updated_at": "2021-11-28T01:36:44.890000Z",
"spacegroup": 71
},
{
"id": "mp-1093888",
"created_at": "2022-09-04T14:48:21.068190Z",
"structure_string": "Nb2 Cr1 Tc1\n1.0\n-4.886170 5.417868 7.736346\n4.886170 -5.417868 7.736346\n4.886170 5.417868 -7.736346\nNb Cr Tc\n2 1 1\ndirect\n0.000000 0.269760 0.269760 Nb\n0.000000 0.730240 0.730240 Nb\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Tc\n",
"nsites": 4,
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"elements": [
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"Tc"
],
"chemical_system": "Cr-Nb-Tc",
"density": 0.6806884460782294,
"density_atomic": 0.004882779611479417,
"volume": 819.2055178153031,
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"formula_full": "Nb2 Cr1 Tc1",
"formula_reduced": "Nb2CrTc",
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"energy": -24.40069443,
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"updated_at": "2021-11-28T01:39:32.871000Z",
"spacegroup": 71
},
{
"id": "mp-1096605",
"created_at": "2022-09-04T14:46:18.471084Z",
"structure_string": "Ga1 Fe1 Ru2\n1.0\n-4.625808 5.939388 7.269073\n4.625808 -5.939388 7.269073\n4.625808 5.939388 -7.269073\nGa Fe Ru\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Fe\n0.000000 0.242430 0.242430 Ru\n0.000000 0.757570 0.757570 Ru\n",
"nsites": 4,
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"elements": [
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"density": 0.6811893027576158,
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"volume": 798.8556693923638,
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"formula_full": "Ga1 Fe1 Ru2",
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"updated_at": "2021-11-28T01:37:25.002000Z",
"spacegroup": 71
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{
"id": "mp-1093535",
"created_at": "2022-09-04T14:45:04.848540Z",
"structure_string": "Zr2 Cu1 Rh1\n1.0\n-5.034722 5.510436 7.661169\n5.034722 -5.510436 7.661169\n5.034722 5.510436 -7.661169\nZr Cu Rh\n2 1 1\ndirect\n0.000000 0.269683 0.269683 Zr\n0.000000 0.730317 0.730317 Zr\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Rh\n",
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"elements": [
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"chemical_system": "Cu-Rh-Zr",
"density": 0.6814483628636825,
"density_atomic": 0.004704825272899308,
"volume": 850.1909779818527,
"volume_molar": 127.99924355721944,
"formula_full": "Zr2 Cu1 Rh1",
"formula_reduced": "Zr2CuRh",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:36:50.517000Z",
"spacegroup": 71
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{
"id": "mp-1093975",
"created_at": "2022-09-04T14:39:19.109166Z",
"structure_string": "Tl1 Cd1 In2\n1.0\n-5.986041 6.264683 8.858761\n5.986041 -6.264683 8.858761\n5.986041 6.264683 -8.858761\nTl Cd In\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Cd\n0.000000 0.252300 0.252300 In\n0.000000 0.747700 0.747700 In\n",
"nsites": 4,
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"elements": [
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"Cd",
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],
"chemical_system": "Cd-In-Tl",
"density": 0.6828292354115165,
"density_atomic": 0.003010150624599244,
"volume": 1328.837157619825,
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"formula_full": "Tl1 Cd1 In2",
"formula_reduced": "TlCdIn2",
"formula_anonymous": "ABC2",
"energy": -4.73538377,
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"updated_at": "2021-11-28T01:34:41.766000Z",
"spacegroup": 71
},
{
"id": "mp-1096677",
"created_at": "2022-09-04T14:43:54.256414Z",
"structure_string": "Mg1 Sb1 Rh2\n1.0\n-5.057162 5.502620 7.686092\n5.057162 -5.502620 7.686092\n5.057162 5.502620 -7.686092\nMg Sb Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Sb\n0.000000 0.264383 0.264383 Rh\n0.000000 0.735617 0.735617 Rh\n",
"nsites": 4,
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],
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"density": 0.682962386138252,
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"volume": 855.5432282337448,
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"formula_full": "Mg1 Sb1 Rh2",
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"band_gap": 0.0541,
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"updated_at": "2021-11-28T01:36:22.509000Z",
"spacegroup": 71
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{
"id": "mp-1093985",
"created_at": "2022-09-04T14:47:01.106413Z",
"structure_string": "La2 Ni1 Ir1\n1.0\n-4.742606 6.936539 9.766503\n4.742606 -6.936539 9.766503\n4.742606 6.936539 -9.766503\nLa Ni Ir\n2 1 1\ndirect\n0.000000 0.244557 0.244557 La\n0.000000 0.755443 0.755442 La\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 4,
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"density": 0.6831514257896528,
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"volume": 1285.1652024297057,
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"formula_full": "La2 Ni1 Ir1",
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"updated_at": "2021-11-28T01:37:44.315000Z",
"spacegroup": 71
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{
"id": "mp-1097507",
"created_at": "2022-09-04T14:41:23.619942Z",
"structure_string": "Hf1 Mg1 Cu2\n1.0\n-5.141201 5.171511 7.536225\n5.141201 -5.171511 7.536225\n5.141201 5.171511 -7.536225\nHf Mg Cu\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Hf\n0.000000 0.000000 0.000000 Mg\n0.748821 0.000000 0.748821 Cu\n0.251179 0.000000 0.251179 Cu\n",
"nsites": 4,
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"updated_at": "2021-11-28T01:35:21.379000Z",
"spacegroup": 71
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{
"id": "mp-1095970",
"created_at": "2022-09-04T14:43:16.098495Z",
"structure_string": "Fe1 Cu1 Pd2\n1.0\n-4.763295 5.478246 7.732249\n4.763295 -5.478246 7.732249\n4.763295 5.478246 -7.732249\nFe Cu Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Cu\n0.000000 0.239001 0.239001 Pd\n0.000000 0.760999 0.760999 Pd\n",
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"updated_at": "2021-11-28T01:36:09.078000Z",
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{
"id": "mp-1093908",
"created_at": "2022-09-04T14:47:15.257543Z",
"structure_string": "Zr2 Cd1 Hg1\n1.0\n-5.881318 5.980706 8.552660\n5.881318 -5.980706 8.552660\n5.881318 5.980706 -8.552660\nZr Cd Hg\n2 1 1\ndirect\n0.000000 0.252824 0.252824 Zr\n0.000000 0.747176 0.747176 Zr\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Hg\n",
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"volume": 1203.3398936635429,
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"formula_full": "Zr2 Cd1 Hg1",
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"updated_at": "2021-11-28T01:37:59.509000Z",
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}
]
}