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{
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"results": [
{
"id": "mp-9146",
"created_at": "2022-09-04T14:45:21.076046Z",
"structure_string": "Cd1 Hg1 O2\n1.0\n1.779881 3.091819 0.000000\n-1.779881 3.091819 0.000000\n0.000000 1.538226 6.299124\nCd Hg O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Hg\n0.378706 0.378706 0.817614 O\n0.621294 0.621294 0.182386 O\n",
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{
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"created_at": "2022-09-04T14:48:14.606073Z",
"structure_string": "Li1 Ga2 Pd1\n1.0\n0.000000 3.097214 3.097214\n3.097214 0.000000 3.097214\n3.097214 3.097214 0.000000\nLi Ga Pd\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.750000 0.750000 0.750000 Ga\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ga-Li-Pd",
"density": 7.064713523153564,
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"spacegroup": 225
},
{
"id": "mp-866103",
"created_at": "2022-09-04T14:46:37.892339Z",
"structure_string": "Ac2 Mg1 Sn1\n1.0\n0.000000 4.093281 4.093281\n4.093281 0.000000 4.093281\n4.093281 4.093281 0.000000\nAc Mg Sn\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ac\n0.250000 0.250000 0.250000 Ac\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ac-Mg-Sn",
"density": 7.227526054794336,
"density_atomic": 0.029161866461365517,
"volume": 137.16543161938264,
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"formula_full": "Ac2 Mg1 Sn1",
"formula_reduced": "Ac2MgSn",
"formula_anonymous": "ABC2",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:40.752000Z",
"spacegroup": 225
},
{
"id": "mp-1225736",
"created_at": "2022-09-04T14:44:12.873785Z",
"structure_string": "Cu3 Sb1\n1.0\n-1.576557 -2.728098 0.000000\n-3.153114 0.000000 0.000000\n0.000000 0.000000 -7.544464\nCu Sb\n3 1\ndirect\n0.333558 0.333221 0.875000 Cu\n0.666560 0.666720 0.094197 Cu\n0.666560 0.666720 0.655803 Cu\n0.333323 0.333338 0.375000 Sb\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Cu-Sb",
"density": 7.993358873832315,
"density_atomic": 0.06163564721931439,
"volume": 64.89750948452026,
"volume_molar": 9.770548427230398,
"formula_full": "Cu3 Sb1",
"formula_reduced": "Cu3Sb",
"formula_anonymous": "AB3",
"energy": -15.26159866,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.209000Z",
"spacegroup": 187
},
{
"id": "mp-1069676",
"created_at": "2022-09-04T14:45:11.536135Z",
"structure_string": "Na3 Cl2\n1.0\n1.759951 -10.170256 0.000000\n1.759951 10.170256 0.000000\n0.000000 0.000000 3.527636\nNa Cl\n3 2\ndirect\n0.500000 0.500000 0.000000 Na\n0.331011 0.668989 0.000000 Na\n0.668989 0.331011 0.000000 Na\n0.913402 0.086598 0.500000 Cl\n0.086598 0.913402 0.500000 Cl\n",
"nsites": 5,
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"elements": [
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"chemical_system": "Cl-Na",
"density": 1.8392634042070872,
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"volume": 126.28338746355526,
"volume_molar": 15.209926699102983,
"formula_full": "Na3 Cl2",
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"energy": -15.25960604,
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"updated_at": "2021-11-28T01:36:49.753000Z",
"spacegroup": 65
},
{
"id": "mp-1094615",
"created_at": "2022-09-04T14:40:09.539009Z",
"structure_string": "Mg2 Ga4\n1.0\n1.537325 -2.662724 0.000000\n1.537325 2.662724 0.000000\n0.000000 0.000000 14.598027\nMg Ga\n2 4\ndirect\n0.333333 0.666667 0.907646 Mg\n0.666667 0.333333 0.092354 Mg\n0.666667 0.333333 0.744831 Ga\n0.333333 0.666667 0.585195 Ga\n0.666667 0.333333 0.414805 Ga\n0.333333 0.666667 0.255169 Ga\n",
"nsites": 6,
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"elements": [
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"Ga"
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"chemical_system": "Ga-Mg",
"density": 4.550373580989406,
"density_atomic": 0.050203644969691825,
"volume": 119.51323461916417,
"volume_molar": 11.995425359325193,
"formula_full": "Mg2 Ga4",
"formula_reduced": "MgGa2",
"formula_anonymous": "AB2",
"energy": -15.25957525,
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"total_magnetization": 0.0061742,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.874000Z",
"spacegroup": 164
},
{
"id": "mp-7431",
"created_at": "2022-09-04T14:44:57.284277Z",
"structure_string": "Sr1 Zn2 Sb2\n1.0\n2.282615 -3.953605 0.000000\n2.282615 3.953605 0.000000\n0.000000 0.000000 7.763603\nSr Zn Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.365463 Zn\n0.333333 0.666667 0.634537 Zn\n0.333333 0.666667 0.270652 Sb\n0.666667 0.333333 0.729348 Sb\n",
"nsites": 5,
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"elements": [
"Sr",
"Zn",
"Sb"
],
"chemical_system": "Sb-Sr-Zn",
"density": 5.474347107457304,
"density_atomic": 0.03568212787915733,
"volume": 140.1261723217074,
"volume_molar": 16.87719067762676,
"formula_full": "Sr1 Zn2 Sb2",
"formula_reduced": "Sr(ZnSb)2",
"formula_anonymous": "AB2C2",
"energy": -15.25939664,
"energy_per_atom": -3.051879328,
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"updated_at": "2021-11-28T01:36:42.027000Z",
"spacegroup": 164
},
{
"id": "mp-1187517",
"created_at": "2022-09-04T14:47:58.854438Z",
"structure_string": "Tl2 C2\n1.0\n1.866170 -3.232008 0.000000\n1.866170 3.232008 0.000000\n0.000000 0.000000 6.303481\nTl C\n2 2\ndirect\n0.000001 0.999999 0.368184 Tl\n0.333334 0.666666 0.868184 Tl\n0.999999 0.000001 0.006816 C\n0.333336 0.666664 0.506816 C\n",
"nsites": 4,
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"elements": [
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"chemical_system": "C-Tl",
"density": 9.45127138066347,
"density_atomic": 0.05260486578646748,
"volume": 76.03859339241949,
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"formula_full": "Tl2 C2",
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"formula_anonymous": "AB",
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"updated_at": "2021-11-28T01:38:25.487000Z",
"spacegroup": 186
},
{
"id": "mp-1183061",
"created_at": "2022-09-04T14:46:18.778777Z",
"structure_string": "Ac2 Zn1 Sn1\n1.0\n0.000000 4.019338 4.019338\n4.019338 0.000000 4.019338\n4.019338 4.019338 0.000000\nAc Zn Sn\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ac\n0.250000 0.250000 0.250000 Ac\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Sn\n",
"nsites": 4,
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"elements": [
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"Zn",
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"chemical_system": "Ac-Sn-Zn",
"density": 8.159380581591696,
"density_atomic": 0.030801112891944316,
"volume": 129.86543746106508,
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"formula_full": "Ac2 Zn1 Sn1",
"formula_reduced": "Ac2ZnSn",
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"updated_at": "2021-11-28T01:37:23.288000Z",
"spacegroup": 225
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{
"id": "mp-972541",
"created_at": "2022-09-04T14:46:55.790522Z",
"structure_string": "Sm1 Tm1 Tl2\n1.0\n0.000000 3.815478 3.815478\n3.815478 0.000000 3.815478\n3.815478 3.815478 0.000000\nSm Tm Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Tm\n0.750000 0.750000 0.750000 Tl\n0.250000 0.250000 0.250000 Tl\n",
"nsites": 4,
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"elements": [
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"density": 10.882781133025311,
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"volume": 111.0904834975172,
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"updated_at": "2021-11-28T01:37:49.070000Z",
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{
"id": "mp-2646",
"created_at": "2022-09-04T14:41:46.095095Z",
"structure_string": "Mg3 Sb2\n1.0\n2.300372 -3.984360 0.000000\n2.300372 3.984360 0.000000\n0.000000 0.000000 7.281330\nMg Sb\n3 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.368325 Mg\n0.666667 0.333333 0.631675 Mg\n0.333333 0.666667 0.774749 Sb\n0.666667 0.333333 0.225251 Sb\n",
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"updated_at": "2021-11-28T01:35:23.109000Z",
"spacegroup": 164
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{
"id": "mp-1095959",
"created_at": "2022-09-04T14:42:27.085966Z",
"structure_string": "Sc2 Tl1 Rh1\n1.0\n-5.192000 6.327778 9.291301\n5.192000 -6.327778 9.291301\n5.192000 6.327778 -9.291301\nSc Tl Rh\n2 1 1\ndirect\n0.000000 0.218552 0.218552 Sc\n0.000000 0.781448 0.781448 Sc\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
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"volume": 1221.0190479490088,
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"formula_full": "Sc2 Tl1 Rh1",
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"updated_at": "2021-11-28T01:35:47.680000Z",
"spacegroup": 71
}
]
}