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"results": [
{
"id": "mp-1217326",
"created_at": "2022-09-04T14:46:07.481281Z",
"structure_string": "Te1 Pd3\n1.0\n-2.480263 -1.762411 1.762411\n-2.480263 1.762411 -1.762411\n0.000000 -4.027209 -4.027209\nTe Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.251910 Pd\n0.000000 0.000000 0.500000 Pd\n0.500000 0.500000 0.748090 Pd\n",
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{
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"structure_string": "Ta3 Pd1\n1.0\n-2.029537 2.029537 4.273596\n2.029537 -2.029537 4.273596\n2.029537 2.029537 -4.273596\nTa Pd\n3 1\ndirect\n0.750000 0.250000 0.500000 Ta\n0.250000 0.750000 0.500000 Ta\n0.500000 0.500000 0.000000 Ta\n0.000000 0.000000 0.000000 Pd\n",
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{
"id": "mp-10685",
"created_at": "2022-09-04T14:40:33.349799Z",
"structure_string": "Cd1 Cu1 Sb1\n1.0\n0.000000 3.277410 3.277410\n3.277410 0.000000 3.277410\n3.277410 3.277410 0.000000\nCd Cu Sb\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Cd\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 3,
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"elements": [
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"density": 7.021508281634952,
"density_atomic": 0.04260876392761317,
"volume": 70.40805044466006,
"volume_molar": 14.133573013830782,
"formula_full": "Cd1 Cu1 Sb1",
"formula_reduced": "CdCuSb",
"formula_anonymous": "ABC",
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"energy_uncorrected": -8.27656232,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:59.710000Z",
"spacegroup": 216
},
{
"id": "mp-19962",
"created_at": "2022-09-04T14:42:04.566280Z",
"structure_string": "Sn2 Pt1\n1.0\n0.000000 3.277409 3.277409\n3.277409 0.000000 3.277409\n3.277409 3.277409 0.000000\nSn Pt\n2 1\ndirect\n0.750000 0.750000 0.750000 Sn\n0.250000 0.250000 0.250000 Sn\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 3,
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"elements": [
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"density": 10.200402387588717,
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"volume": 70.40798599618185,
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"formula_full": "Sn2 Pt1",
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"formula_anonymous": "AB2",
"energy": -15.43284116,
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"updated_at": "2021-11-28T01:35:37.166000Z",
"spacegroup": 225
},
{
"id": "mp-976422",
"created_at": "2022-09-04T14:45:06.487126Z",
"structure_string": "Hf3 C1\n1.0\n-1.964786 1.964786 4.559647\n1.964786 -1.964786 4.559647\n1.964786 1.964786 -4.559647\nHf C\n3 1\ndirect\n0.750000 0.250000 0.500000 Hf\n0.250000 0.750000 0.500000 Hf\n0.500000 0.500000 0.000000 Hf\n0.000000 0.000000 0.000000 C\n",
"nsites": 4,
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"elements": [
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],
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"density": 12.912079415794006,
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"volume": 70.40795376827461,
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"formula_full": "Hf3 C1",
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"updated_at": "2021-11-28T01:36:54.229000Z",
"spacegroup": 139
},
{
"id": "mp-1224949",
"created_at": "2022-09-04T14:41:02.867046Z",
"structure_string": "Fe1 Cu1 S2\n1.0\n3.636719 0.000000 0.000000\n0.000000 3.636719 0.000000\n0.000000 0.000000 5.323164\nFe Cu S\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.266380 S\n0.500000 0.000000 0.733620 S\n",
"nsites": 4,
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"elements": [
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"Cu",
"S"
],
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"density": 4.328580782538094,
"density_atomic": 0.05681599985284227,
"volume": 70.40270364616133,
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"formula_full": "Fe1 Cu1 S2",
"formula_reduced": "FeCuS2",
"formula_anonymous": "ABC2",
"energy": -22.28154789,
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"is_stable": null,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.949000Z",
"spacegroup": 115
},
{
"id": "mp-625509",
"created_at": "2022-09-04T14:46:34.825758Z",
"structure_string": "H3 Br1 O1\n1.0\n3.465378 -2.544581 0.000000\n3.465378 2.544581 0.000000\n1.596926 0.000000 3.991687\nH Br O\n3 1 1\ndirect\n0.633307 0.302180 0.302180 H\n0.302180 0.302180 0.633307 H\n0.302180 0.633307 0.302180 H\n0.006511 0.006511 0.006511 Br\n0.446673 0.446673 0.446673 O\n",
"nsites": 5,
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"elements": [
"H",
"Br",
"O"
],
"chemical_system": "Br-H-O",
"density": 2.3335200303703503,
"density_atomic": 0.07102588192625886,
"volume": 70.39687314535772,
"volume_molar": 8.478797582904162,
"formula_full": "H3 Br1 O1",
"formula_reduced": "H3BrO",
"formula_anonymous": "ABC3",
"energy": -21.91962667,
"energy_per_atom": -4.383925334,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:36.700000Z",
"spacegroup": 160
},
{
"id": "mp-866026",
"created_at": "2022-09-04T14:43:09.145981Z",
"structure_string": "Er1 Nb1 Os2\n1.0\n0.000000 3.277227 3.277227\n3.277227 0.000000 3.277227\n3.277227 3.277227 0.000000\nEr Nb Os\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Er\n0.000000 0.000000 0.000000 Nb\n0.250000 0.250000 0.250000 Os\n0.750000 0.750000 0.750000 Os\n",
"nsites": 4,
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"elements": [
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"Nb",
"Os"
],
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"density": 15.11136409029636,
"density_atomic": 0.056821202843273334,
"volume": 70.39625702808458,
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"formula_full": "Er1 Nb1 Os2",
"formula_reduced": "ErNbOs2",
"formula_anonymous": "ABC2",
"energy": -37.93070167,
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"updated_at": "2021-11-28T01:35:54.593000Z",
"spacegroup": 225
},
{
"id": "mp-754360",
"created_at": "2022-09-04T14:43:21.305685Z",
"structure_string": "Li3 Fe1 O4\n1.0\n-2.018527 2.018527 4.319268\n2.018527 -2.018527 4.319268\n2.018527 2.018527 -4.319268\nLi Fe O\n3 1 4\ndirect\n0.750000 0.250000 0.500000 Li\n0.250000 0.750000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 O\n0.212415 0.212415 0.000000 O\n0.500000 0.000000 0.500000 O\n0.787585 0.787585 0.000000 O\n",
"nsites": 8,
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"elements": [
"Li",
"Fe",
"O"
],
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"density": 3.3181631157094866,
"density_atomic": 0.1136451007458722,
"volume": 70.39458760205794,
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"formula_full": "Li3 Fe1 O4",
"formula_reduced": "Li3FeO4",
"formula_anonymous": "AB3C4",
"energy": -48.06610813,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:07.369000Z",
"spacegroup": 139
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{
"id": "mp-8176",
"created_at": "2022-09-04T14:44:00.664873Z",
"structure_string": "Rb1 Tl1 O2\n1.0\n6.543930 -1.773084 0.000000\n6.543930 1.773084 0.000000\n6.063511 0.000000 3.033263\nRb Tl O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Tl\n0.728439 0.728439 0.728439 O\n0.271561 0.271561 0.271561 O\n",
"nsites": 4,
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"elements": [
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},
{
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"created_at": "2022-09-04T14:39:46.859026Z",
"structure_string": "Sr1 C1 N2\n1.0\n5.191397 -2.003685 0.000000\n5.191397 2.003685 0.000000\n4.418050 0.000000 3.383222\nSr C N\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 C\n0.918374 0.918374 0.918374 N\n0.081626 0.081626 0.081626 N\n",
"nsites": 4,
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"formula_full": "Sr1 C1 N2",
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{
"id": "mp-1222610",
"created_at": "2022-09-04T14:48:07.439800Z",
"structure_string": "Li2 Mg1 Zn1\n1.0\n0.000000 3.277003 3.277003\n3.277003 0.000000 3.277003\n3.277003 3.277003 0.000000\nLi Mg Zn\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Li\n0.750000 0.750000 0.750000 Mg\n0.500000 0.500000 0.500000 Zn\n",
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"volume": 70.38182316329898,
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"formula_full": "Li2 Mg1 Zn1",
"formula_reduced": "Li2MgZn",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:38:31.798000Z",
"spacegroup": 216
}
]
}