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{
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{
"id": "mp-1096051",
"created_at": "2022-09-04T14:48:02.824282Z",
"structure_string": "Li1 Cd2 Cu1\n1.0\n-5.376745 5.456442 7.709052\n5.376745 -5.456442 7.709052\n5.376745 5.456442 -7.709052\nLi Cd Cu\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.261587 0.261587 Cd\n0.000000 0.738413 0.738413 Cd\n0.000000 0.500000 0.500000 Cu\n",
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{
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"nsites": 4,
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"elements": [
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"updated_at": "2021-11-28T01:35:16.241000Z",
"spacegroup": 71
},
{
"id": "mp-1096101",
"created_at": "2022-09-04T14:43:36.589883Z",
"structure_string": "Sc2 Al1 Pd1\n1.0\n-5.206720 5.542707 7.828727\n5.206720 -5.542707 7.828727\n5.206720 5.542707 -7.828727\nSc Al Pd\n2 1 1\ndirect\n0.000000 0.267344 0.267344 Sc\n0.000000 0.732656 0.732656 Sc\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Al-Pd-Sc",
"density": 0.4103236257523495,
"density_atomic": 0.00442611512991143,
"volume": 903.7270569326656,
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"formula_full": "Sc2 Al1 Pd1",
"formula_reduced": "Sc2AlPd",
"formula_anonymous": "ABC2",
"energy": -13.59028568,
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"updated_at": "2021-11-28T01:36:24.468000Z",
"spacegroup": 71
},
{
"id": "mp-1096292",
"created_at": "2022-09-04T14:46:29.168984Z",
"structure_string": "Hf2 Zn1 Rh1\n1.0\n-5.074092 5.609817 7.935741\n5.074092 -5.609817 7.935741\n5.074092 5.609817 -7.935741\nHf Zn Rh\n2 1 1\ndirect\n0.000000 0.277149 0.277149 Hf\n0.000000 0.722851 0.722851 Hf\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Hf-Rh-Zn",
"density": 0.9653781013021023,
"density_atomic": 0.004426958831415041,
"volume": 903.5548222438366,
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"formula_full": "Hf2 Zn1 Rh1",
"formula_reduced": "Hf2ZnRh",
"formula_anonymous": "ABC2",
"energy": -17.46475652,
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"updated_at": "2021-11-28T01:37:37.615000Z",
"spacegroup": 71
},
{
"id": "mp-1096282",
"created_at": "2022-09-04T14:39:47.389528Z",
"structure_string": "Zr2 Ga1 Tc1\n1.0\n-5.018536 5.640369 7.964664\n5.018536 -5.640369 7.964664\n5.018536 5.640369 -7.964664\nZr Ga Tc\n2 1 1\ndirect\n0.000000 0.277420 0.277420 Zr\n0.000000 0.722580 0.722580 Zr\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Tc\n",
"nsites": 4,
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"elements": [
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"density": 0.6447884693490014,
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"volume": 901.8036970751998,
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"formula_full": "Zr2 Ga1 Tc1",
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"formula_anonymous": "ABC2",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:44.949000Z",
"spacegroup": 71
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{
"id": "mp-1093878",
"created_at": "2022-09-04T14:45:39.068090Z",
"structure_string": "Mg1 Zn2 Rh1\n1.0\n-5.270626 5.558282 7.693747\n5.270626 -5.558282 7.693747\n5.270626 5.558282 -7.693747\nMg Zn Rh\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.269709 0.269709 Zn\n0.000000 0.730291 0.730291 Zn\n0.000000 0.500000 0.500000 Rh\n",
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"Zn",
"Rh"
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"chemical_system": "Mg-Rh-Zn",
"density": 0.47524341269511716,
"density_atomic": 0.004436692423514158,
"volume": 901.5725270474649,
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"formula_full": "Mg1 Zn2 Rh1",
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"formula_anonymous": "ABC2",
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"energy_uncorrected": -5.35852613,
"band_gap": 0.0945,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:18.609000Z",
"spacegroup": 71
},
{
"id": "mp-1262938",
"created_at": "2022-09-04T14:46:04.881522Z",
"structure_string": "Al1 V2 W1\n1.0\n-8.533015 0.000000 -4.926538\n-9.168205 -0.137249 6.026721\n-5.835707 9.288479 0.254664\nAl V W\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.724665 0.000000 0.000000 V\n0.275335 0.000000 0.000000 V\n0.500000 0.000000 0.000000 W\n",
"nsites": 4,
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"elements": [
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"V",
"W"
],
"chemical_system": "Al-V-W",
"density": 0.5760242163951405,
"density_atomic": 0.004437286301029739,
"volume": 901.4518623852917,
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"formula_full": "Al1 V2 W1",
"formula_reduced": "AlV2W",
"formula_anonymous": "ABC2",
"energy": -19.84787946,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:14.025000Z",
"spacegroup": 71
},
{
"id": "mp-1097428",
"created_at": "2022-09-04T14:42:20.363781Z",
"structure_string": "Cd1 Sn1 Pd2\n1.0\n-5.165422 5.551826 7.853346\n5.165422 -5.551826 7.853346\n5.165422 5.551826 -7.853346\nCd Sn Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Sn\n0.000000 0.262197 0.262197 Pd\n0.000000 0.737803 0.737803 Pd\n",
"nsites": 4,
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"elements": [
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"Sn",
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"density": 0.8183470871147239,
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"volume": 900.858078625326,
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"formula_full": "Cd1 Sn1 Pd2",
"formula_reduced": "CdSnPd2",
"formula_anonymous": "ABC2",
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"energy_uncorrected": -10.62995181,
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"total_magnetization": 6.59e-05,
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"updated_at": "2021-11-28T01:35:46.435000Z",
"spacegroup": 71
},
{
"id": "mp-1093641",
"created_at": "2022-09-04T14:42:14.527227Z",
"structure_string": "Li2 Hg1 Pt1\n1.0\n-5.027936 5.635893 7.944015\n5.027936 -5.635893 7.944015\n5.027936 5.635893 -7.944015\nLi Hg Pt\n2 1 1\ndirect\n0.000000 0.228160 0.228160 Li\n0.000000 0.771840 0.771840 Li\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
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"elements": [
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"Hg",
"Pt"
],
"chemical_system": "Hg-Li-Pt",
"density": 0.7552832669247501,
"density_atomic": 0.00444229570428985,
"volume": 900.4353303489606,
"volume_molar": 135.56370761596352,
"formula_full": "Li2 Hg1 Pt1",
"formula_reduced": "Li2HgPt",
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"energy": -6.60064642,
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"updated_at": "2021-11-28T01:35:44.520000Z",
"spacegroup": 71
},
{
"id": "mp-1096190",
"created_at": "2022-09-04T14:48:17.085397Z",
"structure_string": "Hf2 Be1 Zn1\n1.0\n-5.319350 5.448270 7.763594\n5.319350 -5.448270 7.763594\n5.319350 5.448270 -7.763594\nHf Be Zn\n2 1 1\ndirect\n0.000000 0.236716 0.236716 Hf\n0.000000 0.763284 0.763284 Hf\n0.000000 0.000000 0.000000 Be\n0.000000 0.500000 0.500000 Zn\n",
"nsites": 4,
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"volume": 899.9947904827122,
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"formula_full": "Hf2 Be1 Zn1",
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"updated_at": "2021-11-28T01:38:37.096000Z",
"spacegroup": 71
},
{
"id": "mp-1096366",
"created_at": "2022-09-04T14:47:19.895275Z",
"structure_string": "Zr2 Be1 Tc1\n1.0\n-4.969719 5.513148 8.205186\n4.969719 -5.513148 8.205186\n4.969719 5.513148 -8.205186\nZr Be Tc\n2 1 1\ndirect\n0.000000 0.273303 0.273303 Zr\n0.000000 0.726697 0.726697 Zr\n0.000000 0.000000 0.000000 Be\n0.000000 0.500000 0.500000 Tc\n",
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"volume": 899.2488814173178,
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"updated_at": "2021-11-28T01:38:04.543000Z",
"spacegroup": 71
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{
"id": "mp-1096661",
"created_at": "2022-09-04T14:40:44.122101Z",
"structure_string": "Hf2 Nb1 Ir1\n1.0\n-4.782822 5.767375 8.142952\n4.782822 -5.767375 8.142952\n4.782822 5.767375 -8.142952\nHf Nb Ir\n2 1 1\ndirect\n0.000000 0.250884 0.250884 Hf\n0.000000 0.749116 0.749116 Hf\n0.000000 0.000000 0.000000 Nb\n0.000000 0.500000 0.500000 Ir\n",
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"density": 1.1867241450307604,
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"volume": 898.4714364754648,
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"formula_full": "Hf2 Nb1 Ir1",
"formula_reduced": "Hf2NbIr",
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"band_gap": 0.0920999999999998,
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"updated_at": "2021-11-28T01:35:12.332000Z",
"spacegroup": 71
}
]
}