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{
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"results": [
{
"id": "mp-1097315",
"created_at": "2022-09-04T14:41:34.982841Z",
"structure_string": "Zr2 Os1 Pd1\n1.0\n-4.873959 5.663280 7.888649\n4.873959 -5.663280 7.888649\n4.873959 5.663280 -7.888649\nZr Os Pd\n2 1 1\ndirect\n0.000000 0.262050 0.262050 Zr\n0.000000 0.737950 0.737950 Zr\n0.000000 0.500000 0.500000 Os\n0.000000 0.000000 0.000000 Pd\n",
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"volume": 870.9887188045955,
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{
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"elements": [
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:19.891000Z",
"spacegroup": 71
},
{
"id": "mp-1095984",
"created_at": "2022-09-04T14:47:25.462043Z",
"structure_string": "Li2 Hg1 As1\n1.0\n-5.284858 5.397598 7.626710\n5.284858 -5.397598 7.626710\n5.284858 5.397598 -7.626710\nLi Hg As\n2 1 1\ndirect\n0.000000 0.227977 0.227977 Li\n0.000000 0.772023 0.772023 Li\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 As\n",
"nsites": 4,
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"elements": [
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"Hg",
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],
"chemical_system": "As-Hg-Li",
"density": 0.5522133944691093,
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"volume": 870.2240533046242,
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"formula_full": "Li2 Hg1 As1",
"formula_reduced": "Li2HgAs",
"formula_anonymous": "ABC2",
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"energy_above_hull": null,
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"energy_uncorrected": -6.22249703,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:05.715000Z",
"spacegroup": 71
},
{
"id": "mp-1093665",
"created_at": "2022-09-04T14:42:38.060698Z",
"structure_string": "Zr2 Co1 Pt1\n1.0\n-4.747897 5.688239 8.055270\n4.747897 -5.688239 8.055270\n4.747897 5.688239 -8.055270\nZr Co Pt\n2 1 1\ndirect\n0.000000 0.232286 0.232285 Zr\n0.000000 0.767715 0.767714 Zr\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Co-Pt-Zr",
"density": 0.8328743690284299,
"density_atomic": 0.00459664298081656,
"volume": 870.2002780493144,
"volume_molar": 131.01171409510275,
"formula_full": "Zr2 Co1 Pt1",
"formula_reduced": "Zr2CoPt",
"formula_anonymous": "ABC2",
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"energy_uncorrected": -19.58092318,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.720000Z",
"spacegroup": 71
},
{
"id": "mp-1097581",
"created_at": "2022-09-04T14:45:12.801811Z",
"structure_string": "Cd1 Cu1 Pd2\n1.0\n-5.028511 5.531938 7.819808\n5.028511 -5.531938 7.819808\n5.028511 5.531938 -7.819808\nCd Cu Pd\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Cu\n0.000000 0.236019 0.236019 Pd\n0.000000 0.763981 0.763981 Pd\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Cd-Cu-Pd",
"density": 0.7419919829505731,
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"volume": 870.1072549457543,
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"formula_full": "Cd1 Cu1 Pd2",
"formula_reduced": "CdCuPd2",
"formula_anonymous": "ABC2",
"energy": -8.42119878,
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"energy_uncorrected": -8.42119878,
"band_gap": 0.2546999999999997,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:59.402000Z",
"spacegroup": 71
},
{
"id": "mp-1096157",
"created_at": "2022-09-04T14:42:15.276381Z",
"structure_string": "Mn1 Tl1 Rh2\n1.0\n-4.808120 5.706955 7.923737\n4.808120 -5.706955 7.923737\n4.808120 5.706955 -7.923737\nMn Tl Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Tl\n0.000000 0.218478 0.218478 Rh\n0.000000 0.781522 0.781522 Rh\n",
"nsites": 4,
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"elements": [
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"Tl",
"Rh"
],
"chemical_system": "Mn-Rh-Tl",
"density": 0.8880876869251494,
"density_atomic": 0.004599283724062907,
"volume": 869.7006403567743,
"volume_molar": 130.9364918822658,
"formula_full": "Mn1 Tl1 Rh2",
"formula_reduced": "MnTlRh2",
"formula_anonymous": "ABC2",
"energy": -16.87909275,
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"energy_above_hull": null,
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"formation_energy": null,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.732000Z",
"spacegroup": 71
},
{
"id": "mp-1096442",
"created_at": "2022-09-04T14:42:07.521892Z",
"structure_string": "Li2 Zn1 Ga1\n1.0\n-5.316634 5.462811 7.484779\n5.316634 -5.462811 7.484779\n5.316634 5.462811 -7.484779\nLi Zn Ga\n2 1 1\ndirect\n0.749294 0.000000 0.749294 Li\n0.250706 0.000000 0.250706 Li\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Ga\n",
"nsites": 4,
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"elements": [
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"Zn",
"Ga"
],
"chemical_system": "Ga-Li-Zn",
"density": 0.28456681801197253,
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"volume": 869.5447002535684,
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"formula_full": "Li2 Zn1 Ga1",
"formula_reduced": "Li2ZnGa",
"formula_anonymous": "ABC2",
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"energy_above_hull": null,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.146000Z",
"spacegroup": 71
},
{
"id": "mp-1188724",
"created_at": "2022-09-04T14:40:16.605924Z",
"structure_string": "Fe12 C4\n1.0\n11.873679 0.000000 0.000000\n0.000000 14.266616 0.000000\n0.000000 0.000000 20.522858\nFe C\n12 4\ndirect\n0.161527 0.669050 0.064903 Fe\n0.338473 0.169050 0.435097 Fe\n0.838473 0.330950 0.564903 Fe\n0.661527 0.830950 0.935097 Fe\n0.838473 0.330950 0.935097 Fe\n0.661527 0.830950 0.564903 Fe\n0.161527 0.669050 0.435097 Fe\n0.338473 0.169050 0.064903 Fe\n0.654210 0.525691 0.250000 Fe\n0.845790 0.025691 0.250000 Fe\n0.345790 0.474309 0.750000 Fe\n0.154210 0.974309 0.750000 Fe\n0.524608 0.504532 0.250000 C\n0.975392 0.004532 0.250000 C\n0.475392 0.495468 0.750000 C\n0.024608 0.995468 0.750000 C\n",
"nsites": 16,
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"elements": [
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"C"
],
"chemical_system": "C-Fe",
"density": 0.34303622258655975,
"density_atomic": 0.004602309983271901,
"volume": 3476.5150670327484,
"volume_molar": 130.8503942995753,
"formula_full": "Fe12 C4",
"formula_reduced": "Fe3C",
"formula_anonymous": "AB3",
"energy": -69.33154235,
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"updated_at": "2021-11-28T01:34:59.348000Z",
"spacegroup": 62
},
{
"id": "mp-1095932",
"created_at": "2022-09-04T14:43:52.415817Z",
"structure_string": "Zr2 Cu1 Re1\n1.0\n-4.980188 5.541083 7.867841\n4.980188 -5.541083 7.867841\n4.980188 5.541083 -7.867841\nZr Cu Re\n2 1 1\ndirect\n0.000000 0.268557 0.268557 Zr\n0.000000 0.731443 0.731443 Zr\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Re\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.8263783024986342,
"density_atomic": 0.004605788936514659,
"volume": 868.4722758978448,
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"formula_full": "Zr2 Cu1 Re1",
"formula_reduced": "Zr2CuRe",
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"updated_at": "2021-11-28T01:36:25.725000Z",
"spacegroup": 71
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{
"id": "mp-1097504",
"created_at": "2022-09-04T14:47:29.081653Z",
"structure_string": "Mg1 Sn1 Ru2\n1.0\n-5.232381 5.405103 7.676169\n5.232381 -5.405103 7.676169\n5.232381 5.405103 -7.676169\nMg Sn Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Sn\n0.000000 0.260484 0.260484 Ru\n0.000000 0.739516 0.739516 Ru\n",
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"density": 0.6600174429662966,
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"volume": 868.3760825417914,
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"formula_full": "Mg1 Sn1 Ru2",
"formula_reduced": "MgSnRu2",
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{
"id": "mp-1096509",
"created_at": "2022-09-04T14:45:21.940253Z",
"structure_string": "Sc2 Tc1 Rh1\n1.0\n-4.581340 5.779098 8.198812\n4.581340 -5.779098 8.198812\n4.581340 5.779098 -8.198812\nSc Tc Rh\n2 1 1\ndirect\n0.000000 0.251086 0.251086 Sc\n0.000000 0.748914 0.748914 Sc\n0.000000 0.000000 0.000000 Tc\n0.000000 0.500000 0.500000 Rh\n",
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"density": 0.5561678355967349,
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"volume": 868.2874068543217,
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"formula_full": "Sc2 Tc1 Rh1",
"formula_reduced": "Sc2TcRh",
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"updated_at": "2021-11-28T01:37:09.412000Z",
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{
"id": "mp-1097368",
"created_at": "2022-09-04T14:44:02.588106Z",
"structure_string": "Sc1 Ti1 Tc2\n1.0\n-4.620279 5.806544 8.086391\n4.620279 -5.806544 8.086391\n4.620279 5.806544 -8.086391\nSc Ti Tc\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Ti\n0.000000 0.263280 0.263280 Tc\n0.000000 0.736720 0.736720 Tc\n",
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"density": 0.5526880679665291,
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"volume": 867.7620460845892,
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"formula_full": "Sc1 Ti1 Tc2",
"formula_reduced": "ScTiTc2",
"formula_anonymous": "ABC2",
"energy": -21.95023475,
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"updated_at": "2021-11-28T01:36:29.421000Z",
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}
]
}