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{
"id": "mp-1095806",
"created_at": "2022-09-04T14:45:06.921529Z",
"structure_string": "Li1 In2 Ag1\n1.0\n-5.601968 5.762963 8.245435\n5.601968 -5.762963 8.245435\n5.601968 5.762963 -8.245435\nLi In Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.255771 0.255771 In\n0.000000 0.744229 0.744229 In\n0.000000 0.500000 0.500000 Ag\n",
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{
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"spacegroup": 71
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{
"id": "mp-1097083",
"created_at": "2022-09-04T14:46:11.260653Z",
"structure_string": "Sc2 Zn1 Ag1\n1.0\n-5.516281 5.845684 8.265413\n5.516281 -5.845684 8.265413\n5.516281 5.845684 -8.265413\nSc Zn Ag\n2 1 1\ndirect\n0.000000 0.250194 0.250194 Sc\n0.000000 0.749806 0.749806 Sc\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ag-Sc-Zn",
"density": 0.40993085149647485,
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"volume": 1066.1204314261845,
"volume_molar": 160.50818262901026,
"formula_full": "Sc2 Zn1 Ag1",
"formula_reduced": "Sc2ZnAg",
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"energy": -8.61204503,
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"energy_uncorrected": -8.61204503,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:19.521000Z",
"spacegroup": 71
},
{
"id": "mp-1097623",
"created_at": "2022-09-04T14:46:10.538743Z",
"structure_string": "Ca2 Pd1 Rh1\n1.0\n-5.069669 5.964680 8.814820\n5.069669 -5.964680 8.814820\n5.069669 5.964680 -8.814820\nCa Pd Rh\n2 1 1\ndirect\n0.000000 0.242174 0.242174 Ca\n0.000000 0.757826 0.757826 Ca\n0.000000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ca-Pd-Rh",
"density": 0.45084755412499056,
"density_atomic": 0.003751628250068734,
"volume": 1066.2037209914697,
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"formula_full": "Ca2 Pd1 Rh1",
"formula_reduced": "Ca2PdRh",
"formula_anonymous": "ABC2",
"energy": -11.3785208,
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"updated_at": "2021-11-28T01:37:21.761000Z",
"spacegroup": 71
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{
"id": "mp-1095979",
"created_at": "2022-09-04T14:45:28.346116Z",
"structure_string": "Li2 Cd1 Bi1\n1.0\n-5.645826 5.784125 8.163333\n5.645826 -5.784125 8.163333\n5.645826 5.784125 -8.163333\nLi Cd Bi\n2 1 1\ndirect\n0.000000 0.257360 0.257360 Li\n0.000000 0.742640 0.742640 Li\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Bi-Cd-Li",
"density": 0.5221022115637686,
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"volume": 1066.332542481119,
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"formula_full": "Li2 Cd1 Bi1",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:58.930000Z",
"spacegroup": 71
},
{
"id": "mp-1096004",
"created_at": "2022-09-04T14:47:02.448526Z",
"structure_string": "Hf2 Nb1 In1\n1.0\n-5.323759 5.967425 8.392040\n5.323759 -5.967425 8.392040\n5.323759 5.967425 -8.392040\nHf Nb In\n2 1 1\ndirect\n0.000000 0.222808 0.222808 Hf\n0.000000 0.777192 0.777192 Hf\n0.000000 0.000000 0.000000 Nb\n0.000000 0.500000 0.500000 In\n",
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"In"
],
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"density": 0.879300581772722,
"density_atomic": 0.003750827557324882,
"volume": 1066.4313245189096,
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"formula_full": "Hf2 Nb1 In1",
"formula_reduced": "Hf2NbIn",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:37:48.819000Z",
"spacegroup": 71
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{
"id": "mp-1097286",
"created_at": "2022-09-04T14:47:56.951602Z",
"structure_string": "Sc2 Hg1 Pt1\n1.0\n-5.385090 5.922156 8.364363\n5.385090 -5.922156 8.364363\n5.385090 5.922156 -8.364363\nSc Hg Pt\n2 1 1\ndirect\n0.000000 0.218275 0.218275 Sc\n0.000000 0.781725 0.781725 Sc\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-Pt-Sc",
"density": 0.7557000035630185,
"density_atomic": 0.003748817671713335,
"volume": 1067.0030794460768,
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"formula_full": "Sc2 Hg1 Pt1",
"formula_reduced": "Sc2HgPt",
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"updated_at": "2021-11-28T01:38:18.848000Z",
"spacegroup": 71
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{
"id": "mp-1096057",
"created_at": "2022-09-04T14:44:04.300054Z",
"structure_string": "Sc2 Tl1 Cu1\n1.0\n-5.469016 5.909638 8.254657\n5.469016 -5.909638 8.254657\n5.469016 5.909638 -8.254657\nSc Tl Cu\n2 1 1\ndirect\n0.000000 0.232619 0.232619 Sc\n0.000000 0.767381 0.767381 Sc\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 4,
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"elements": [
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"Cu"
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"chemical_system": "Cu-Sc-Tl",
"density": 0.5568141341558951,
"density_atomic": 0.003748270245432297,
"volume": 1067.1589128010353,
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"formula_full": "Sc2 Tl1 Cu1",
"formula_reduced": "Sc2TlCu",
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"updated_at": "2021-11-28T01:36:25.999000Z",
"spacegroup": 71
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{
"id": "mp-1093876",
"created_at": "2022-09-04T14:47:57.384623Z",
"structure_string": "Ca1 Tl1 Pd2\n1.0\n-5.163044 6.050261 8.554842\n5.163044 -6.050261 8.554842\n5.163044 6.050261 -8.554842\nCa Tl Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Tl\n0.000000 0.241773 0.241773 Pd\n0.000000 0.758227 0.758227 Pd\n",
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"elements": [
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],
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"volume": 1068.9365334117497,
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"formula_full": "Ca1 Tl1 Pd2",
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"updated_at": "2021-11-28T01:38:15.692000Z",
"spacegroup": 71
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{
"id": "mp-1093593",
"created_at": "2022-09-04T14:46:55.973243Z",
"structure_string": "Y2 Zn1 Cu1\n1.0\n-5.722631 5.756941 8.114021\n5.722631 -5.756941 8.114021\n5.722631 5.756941 -8.114021\nY Zn Cu\n2 1 1\ndirect\n0.242136 0.000000 0.242136 Y\n0.757864 0.000000 0.757864 Y\n0.500000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Cu\n",
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"volume": 1069.2607875424783,
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"formula_full": "Y2 Zn1 Cu1",
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{
"id": "mp-1097432",
"created_at": "2022-09-04T14:41:47.641377Z",
"structure_string": "Hf2 In1 Mo1\n1.0\n-5.220392 5.991354 8.557942\n5.220392 -5.991354 8.557942\n5.220392 5.991354 -8.557942\nHf In Mo\n2 1 1\ndirect\n0.000000 0.221702 0.221702 Hf\n0.000000 0.778298 0.778298 Hf\n0.000000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Mo\n",
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"updated_at": "2021-11-28T01:35:26.900000Z",
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{
"id": "mp-1096019",
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"structure_string": "Sc2 In1 Os1\n1.0\n-5.248537 6.010855 8.495741\n5.248537 -6.010855 8.495741\n5.248537 6.010855 -8.495741\nSc In Os\n2 1 1\ndirect\n0.000000 0.286288 0.286288 Sc\n0.000000 0.713712 0.713712 Sc\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 Os\n",
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"volume": 1072.1011705027995,
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"updated_at": "2021-11-28T01:38:58.578000Z",
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}
]
}