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{
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"results": [
{
"id": "mp-1219916",
"created_at": "2022-09-04T14:40:42.161132Z",
"structure_string": "Pr1 Zn2 Ga2\n1.0\n4.293572 0.000000 0.000000\n0.000000 4.293572 0.000000\n2.146786 2.146786 5.347596\nPr Zn Ga\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.385730 0.385730 0.228539 Zn\n0.614270 0.614270 0.771461 Zn\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Ga\n",
"nsites": 5,
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{
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"created_at": "2022-09-04T14:41:07.125052Z",
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"elements": [
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"updated_at": "2021-11-28T01:35:11.517000Z",
"spacegroup": 139
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{
"id": "mp-1080294",
"created_at": "2022-09-04T14:45:05.254564Z",
"structure_string": "Ce1 Se2\n1.0\n4.116818 0.000000 0.000000\n0.000000 5.545151 0.000000\n0.000000 0.000000 28.387017\nCe Se\n1 2\ndirect\n0.000000 0.500000 0.500000 Ce\n0.500000 0.500000 0.435215 Se\n0.500000 0.500000 0.564785 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
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],
"chemical_system": "Ce-Se",
"density": 0.7637004050988495,
"density_atomic": 0.004629418599998304,
"volume": 648.0295387418842,
"volume_molar": 130.08416996471664,
"formula_full": "Ce1 Se2",
"formula_reduced": "CeSe2",
"formula_anonymous": "AB2",
"energy": -16.66659711,
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"band_gap": 0.7343999999999999,
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"total_magnetization": 6.35e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:49.573000Z",
"spacegroup": 47
},
{
"id": "mp-1184088",
"created_at": "2022-09-04T14:39:35.452433Z",
"structure_string": "Er2 Tl1 In1\n1.0\n0.000000 3.749558 3.749558\n3.749558 0.000000 3.749558\n3.749558 3.749558 0.000000\nEr Tl In\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Er\n0.750000 0.750000 0.750000 Er\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Tl",
"In"
],
"chemical_system": "Er-In-Tl",
"density": 10.296039053183309,
"density_atomic": 0.037939339695281654,
"volume": 105.43146064551729,
"volume_molar": 15.873077413492641,
"formula_full": "Er2 Tl1 In1",
"formula_reduced": "Er2TlIn",
"formula_anonymous": "ABC2",
"energy": -15.7194881,
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"energy_above_hull": null,
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"energy_uncorrected": -15.7194881,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0006027,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.222000Z",
"spacegroup": 225
},
{
"id": "mp-631344",
"created_at": "2022-09-04T14:45:31.516441Z",
"structure_string": "Na1 Os1 Se2\n1.0\n0.000000 3.310233 3.310233\n3.310233 0.000000 3.310233\n3.310233 3.310233 0.000000\nNa Os Se\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Na\n0.250000 0.250000 0.250000 Os\n0.000000 0.000000 0.000000 Se\n0.750000 0.750000 0.750000 Se\n",
"nsites": 4,
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"elements": [
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"Os",
"Se"
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"chemical_system": "Na-Os-Se",
"density": 8.495342713608853,
"density_atomic": 0.05513841832980807,
"volume": 72.54469970600485,
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"formula_full": "Na1 Os1 Se2",
"formula_reduced": "NaOsSe2",
"formula_anonymous": "ABC2",
"energy": -16.66326932,
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"energy_uncorrected": -15.71926932,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:00.621000Z",
"spacegroup": 216
},
{
"id": "mp-1096349",
"created_at": "2022-09-04T14:40:09.976236Z",
"structure_string": "Mn1 Tl1 Pd2\n1.0\n-5.037488 5.849422 8.270153\n5.037488 -5.849422 8.270153\n5.037488 5.849422 -8.270153\nMn Tl Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Tl\n0.000000 0.237690 0.237690 Pd\n0.000000 0.762310 0.762310 Pd\n",
"nsites": 4,
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"elements": [
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"Tl",
"Pd"
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"chemical_system": "Mn-Pd-Tl",
"density": 0.8043387881199239,
"density_atomic": 0.004103547614606126,
"volume": 974.7663182370396,
"volume_molar": 146.75449941326022,
"formula_full": "Mn1 Tl1 Pd2",
"formula_reduced": "MnTlPd2",
"formula_anonymous": "ABC2",
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"band_gap": 0.4900000000000002,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:56.926000Z",
"spacegroup": 71
},
{
"id": "mp-1206742",
"created_at": "2022-09-04T14:41:55.828015Z",
"structure_string": "Er1 H1 Se1\n1.0\n1.903475 -3.296915 0.000000\n1.903475 3.296915 0.000000\n0.000000 0.000000 3.881145\nEr H Se\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Er\n0.333333 0.666667 0.000000 H\n0.666667 0.333333 0.500000 Se\n",
"nsites": 3,
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"elements": [
"Er",
"H",
"Se"
],
"chemical_system": "Er-H-Se",
"density": 8.42752596617046,
"density_atomic": 0.061585215160255884,
"volume": 48.71299048308034,
"volume_molar": 9.778549517655007,
"formula_full": "Er1 H1 Se1",
"formula_reduced": "ErHSe",
"formula_anonymous": "ABC",
"energy": -16.36879819,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.903000Z",
"spacegroup": 187
},
{
"id": "mp-1094630",
"created_at": "2022-09-04T14:42:25.033189Z",
"structure_string": "Mg2 Ga4\n1.0\n2.394670 -4.706649 0.000000\n2.394670 4.706649 0.000000\n0.000000 0.000000 5.168615\nMg Ga\n2 4\ndirect\n0.807925 0.807925 0.750000 Mg\n0.192075 0.192075 0.250000 Mg\n0.144022 0.486504 0.750000 Ga\n0.486504 0.144022 0.750000 Ga\n0.513496 0.855978 0.250000 Ga\n0.855978 0.513496 0.250000 Ga\n",
"nsites": 6,
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"elements": [
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"Ga"
],
"chemical_system": "Ga-Mg",
"density": 4.667683382167431,
"density_atomic": 0.05149790784832917,
"volume": 116.50958748986669,
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"formula_full": "Mg2 Ga4",
"formula_reduced": "MgGa2",
"formula_anonymous": "AB2",
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.790000Z",
"spacegroup": 63
},
{
"id": "mp-2258",
"created_at": "2022-09-04T14:45:27.950344Z",
"structure_string": "Cu3 Au1\n1.0\n3.773915 0.000000 0.000000\n0.000000 3.773915 0.000000\n0.000000 0.000000 3.773915\nCu Au\n3 1\ndirect\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
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"elements": [
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"Au"
],
"chemical_system": "Au-Cu",
"density": 11.974617292696905,
"density_atomic": 0.07441896889370417,
"volume": 53.74973692142084,
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"formula_full": "Cu3 Au1",
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"formula_anonymous": "AB3",
"energy": -15.71691505,
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"total_magnetization": 1.04e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:02.467000Z",
"spacegroup": 221
},
{
"id": "mp-978849",
"created_at": "2022-09-04T14:41:07.333905Z",
"structure_string": "Sm3 Mg1\n1.0\n-2.478987 2.478987 5.024726\n2.478987 -2.478987 5.024726\n2.478987 2.478987 -5.024726\nSm Mg\n3 1\ndirect\n0.500000 0.500000 0.000000 Sm\n0.750000 0.250000 0.500000 Sm\n0.250000 0.750000 0.500000 Sm\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Mg-Sm",
"density": 6.39107180812844,
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"volume": 123.5153332453023,
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"formula_full": "Sm3 Mg1",
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"updated_at": "2021-11-28T01:35:14.601000Z",
"spacegroup": 139
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{
"id": "mp-1099316",
"created_at": "2022-09-04T14:41:51.816568Z",
"structure_string": "Sr1 La1 Mg6\n1.0\n3.592609 -5.828337 0.000000\n3.592609 5.828337 0.000000\n0.000000 0.000000 5.453152\nSr La Mg\n1 1 6\ndirect\n0.651901 0.348099 0.500000 Sr\n0.849589 0.150411 0.000000 La\n0.840468 0.669481 0.000000 Mg\n0.330519 0.159532 0.000000 Mg\n0.341679 0.658321 0.000000 Mg\n0.666116 0.839963 0.500000 Mg\n0.160037 0.333884 0.500000 Mg\n0.159691 0.840309 0.500000 Mg\n",
"nsites": 8,
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"density": 2.7075384198776415,
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"volume": 228.3664010297393,
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"formula_full": "Sr1 La1 Mg6",
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"updated_at": "2021-11-28T01:35:31.167000Z",
"spacegroup": 38
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{
"id": "mp-1097253",
"created_at": "2022-09-04T14:40:16.283874Z",
"structure_string": "Sc1 Co2 Ge1\n1.0\n-4.297064 4.959157 6.677854\n4.297064 -4.959157 6.677854\n4.297064 4.959157 -6.677854\nSc Co Ge\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.239859 0.239859 Co\n0.000000 0.760141 0.760141 Co\n0.000000 0.500000 0.500000 Ge\n",
"nsites": 4,
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"density": 0.6869005945547788,
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"volume": 569.2153337499933,
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"formula_full": "Sc1 Co2 Ge1",
"formula_reduced": "ScCo2Ge",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:02.096000Z",
"spacegroup": 71
}
]
}