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{
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"results": [
{
"id": "mp-11422",
"created_at": "2022-09-04T14:43:56.670468Z",
"structure_string": "Gd1 Hg1\n1.0\n3.760424 0.000000 0.000000\n0.000000 3.760424 0.000000\n0.000000 0.000000 3.760424\nGd Hg\n1 1\ndirect\n0.000000 0.000000 0.000000 Gd\n0.500000 0.500000 0.500000 Hg\n",
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{
"id": "mp-11421",
"created_at": "2022-09-04T14:45:16.036298Z",
"structure_string": "Gd1\n1.0\n-2.018432 2.018432 2.018432\n2.018432 -2.018432 2.018432\n2.018432 2.018432 -2.018432\nGd\n1\ndirect\n0.000000 0.000000 0.000000 Gd\n",
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"spacegroup": 229
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{
"id": "mp-11420",
"created_at": "2022-09-04T14:41:53.460820Z",
"structure_string": "Y2 Ga2\n1.0\n2.169177 -5.462573 0.000000\n2.169177 5.462573 0.000000\n0.000000 0.000000 4.087425\nY Ga\n2 2\ndirect\n0.860644 0.139356 0.750000 Y\n0.139356 0.860644 0.250000 Y\n0.576080 0.423920 0.750000 Ga\n0.423920 0.576080 0.250000 Ga\n",
"nsites": 4,
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"volume": 96.8661496558848,
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"formula_full": "Y2 Ga2",
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"energy": -21.66101601,
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"updated_at": "2021-11-28T01:35:31.732000Z",
"spacegroup": 63
},
{
"id": "mp-11419",
"created_at": "2022-09-04T14:47:18.704312Z",
"structure_string": "Th1 Ga2\n1.0\n2.140597 -3.707623 0.000000\n2.140597 3.707623 0.000000\n0.000000 0.000000 4.244329\nTh Ga\n1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.333333 0.666667 0.500000 Ga\n0.666667 0.333333 0.500000 Ga\n",
"nsites": 3,
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"elements": [
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"chemical_system": "Ga-Th",
"density": 9.15629474098847,
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"volume": 67.3704606174118,
"volume_molar": 13.523813230136346,
"formula_full": "Th1 Ga2",
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"formula_anonymous": "AB2",
"energy": -15.38459251,
"energy_per_atom": -5.128197503333333,
"energy_above_hull": null,
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"total_magnetization": 6.91e-05,
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"updated_at": "2021-11-28T01:37:59.473000Z",
"spacegroup": 191
},
{
"id": "mp-11418",
"created_at": "2022-09-04T14:47:07.882288Z",
"structure_string": "Tb1 Ga3\n1.0\n4.286838 0.000000 0.000000\n0.000000 4.286838 0.000000\n0.000000 0.000000 4.286838\nTb Ga\n1 3\ndirect\n0.000000 0.000000 0.000000 Tb\n0.000000 0.500000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.500000 0.000000 0.500000 Ga\n",
"nsites": 4,
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"elements": [
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"density": 7.758844240553991,
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"volume": 78.77913635318585,
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"formula_full": "Tb1 Ga3",
"formula_reduced": "TbGa3",
"formula_anonymous": "AB3",
"energy": -15.88418977,
"energy_per_atom": -3.9710474425,
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"updated_at": "2021-11-28T01:37:52.421000Z",
"spacegroup": 221
},
{
"id": "mp-11417",
"created_at": "2022-09-04T14:41:09.912549Z",
"structure_string": "Tb2 Ga2\n1.0\n2.177883 -5.481210 0.000000\n2.177883 5.481210 0.000000\n0.000000 0.000000 4.094672\nTb Ga\n2 2\ndirect\n0.860627 0.139373 0.750000 Tb\n0.139373 0.860627 0.250000 Tb\n0.575629 0.424371 0.750000 Ga\n0.424371 0.575629 0.250000 Ga\n",
"nsites": 4,
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"elements": [
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"density": 7.767603775336871,
"density_atomic": 0.0409166331785481,
"volume": 97.75975414558626,
"volume_molar": 14.718075003192851,
"formula_full": "Tb2 Ga2",
"formula_reduced": "TbGa",
"formula_anonymous": "AB",
"energy": -17.834935,
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"energy_above_hull": null,
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"energy_uncorrected": -17.834935,
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"updated_at": "2021-11-28T01:35:09.118000Z",
"spacegroup": 63
},
{
"id": "mp-11416",
"created_at": "2022-09-04T14:43:59.488226Z",
"structure_string": "Ta1 Ga3\n1.0\n-1.915701 1.915701 4.384035\n1.915701 -1.915701 4.384035\n1.915701 1.915701 -4.384035\nTa Ga\n1 3\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.000000 Ga\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Ga"
],
"chemical_system": "Ga-Ta",
"density": 10.065941076360662,
"density_atomic": 0.06215420780014265,
"volume": 64.35606118353293,
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"formula_full": "Ta1 Ga3",
"formula_reduced": "TaGa3",
"formula_anonymous": "AB3",
"energy": -21.61833696,
"energy_per_atom": -5.40458424,
"energy_above_hull": null,
"is_stable": null,
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"band_gap": 0.0,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:36:07.453000Z",
"spacegroup": 139
},
{
"id": "mp-11415",
"created_at": "2022-09-04T14:39:48.370036Z",
"structure_string": "Sm9 Ga4\n1.0\n-5.969804 5.969804 2.563832\n5.969804 -5.969804 2.563832\n5.969804 5.969804 -2.563832\nSm Ga\n9 4\ndirect\n0.500000 0.500000 0.000000 Sm\n0.124057 0.595209 0.719266 Sm\n0.595209 0.875943 0.471151 Sm\n0.404791 0.124057 0.528849 Sm\n0.875943 0.404791 0.280734 Sm\n0.184509 0.889815 0.074325 Sm\n0.889815 0.815491 0.705306 Sm\n0.110185 0.184509 0.294694 Sm\n0.815491 0.110185 0.925675 Sm\n0.387163 0.731842 0.119005 Ga\n0.731842 0.612837 0.344680 Ga\n0.268158 0.387163 0.655320 Ga\n0.612837 0.268158 0.880995 Ga\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Sm",
"Ga"
],
"chemical_system": "Ga-Sm",
"density": 7.415401607897131,
"density_atomic": 0.035569163509541486,
"volume": 365.48512018036996,
"volume_molar": 16.930791072397728,
"formula_full": "Sm9 Ga4",
"formula_reduced": "Sm9Ga4",
"formula_anonymous": "A4B9",
"energy": -59.51203773,
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"updated_at": "2021-11-28T01:34:44.233000Z",
"spacegroup": 87
},
{
"id": "mp-11413",
"created_at": "2022-09-04T14:40:16.289695Z",
"structure_string": "Sc2 Ga4\n1.0\n2.059752 -6.368040 0.000000\n2.059752 6.368040 0.000000\n0.000000 0.000000 4.145407\nSc Ga\n2 4\ndirect\n0.652947 0.347053 0.000000 Sc\n0.347053 0.652947 0.000000 Sc\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.823396 0.176604 0.500000 Ga\n0.176604 0.823396 0.500000 Ga\n",
"nsites": 6,
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"elements": [
"Sc",
"Ga"
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"density": 5.631532890322556,
"density_atomic": 0.055173859214342626,
"volume": 108.74715101386782,
"volume_molar": 10.914844177574814,
"formula_full": "Sc2 Ga4",
"formula_reduced": "ScGa2",
"formula_anonymous": "AB2",
"energy": -28.04207109,
"energy_per_atom": -4.673678515,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:49.751000Z",
"spacegroup": 65
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{
"id": "mp-11412",
"created_at": "2022-09-04T14:42:18.814551Z",
"structure_string": "Sc2 Ga4\n1.0\n-2.061328 3.313288 3.990843\n2.061328 -3.313288 3.990843\n2.061328 3.313288 -3.990843\nSc Ga\n2 4\ndirect\n0.689298 0.439298 0.250000 Sc\n0.310702 0.560702 0.750000 Sc\n0.295943 0.841959 0.453984 Ga\n0.704057 0.158041 0.546016 Ga\n0.887974 0.841959 0.046016 Ga\n0.112026 0.158041 0.953984 Ga\n",
"nsites": 6,
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"elements": [
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"density": 5.617118533448172,
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"volume": 109.02621228602229,
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"formula_full": "Sc2 Ga4",
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"formula_anonymous": "AB2",
"energy": -28.17754929,
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"updated_at": "2021-11-28T01:35:43.830000Z",
"spacegroup": 74
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{
"id": "mp-11411",
"created_at": "2022-09-04T14:42:38.363615Z",
"structure_string": "Sc2 Ga2\n1.0\n2.013803 -5.134646 0.000000\n2.013803 5.134646 0.000000\n0.000000 0.000000 3.913685\nSc Ga\n2 2\ndirect\n0.138927 0.861073 0.250000 Sc\n0.861073 0.138927 0.750000 Sc\n0.418415 0.581585 0.250000 Ga\n0.581585 0.418415 0.750000 Ga\n",
"nsites": 4,
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"volume": 80.93630137640426,
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"formula_full": "Sc2 Ga2",
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"formula_anonymous": "AB",
"energy": -21.13113492,
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"updated_at": "2021-11-28T01:35:51.063000Z",
"spacegroup": 63
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{
"id": "mp-11407",
"created_at": "2022-09-04T14:48:26.598957Z",
"structure_string": "Ga1 Pt3\n1.0\n3.947594 0.000000 0.000000\n0.000000 3.947594 0.000000\n0.000000 0.000000 3.947594\nGa Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n",
"nsites": 4,
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"density": 17.679760616455045,
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"volume": 61.51732473877866,
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"formula_full": "Ga1 Pt3",
"formula_reduced": "GaPt3",
"formula_anonymous": "AB3",
"energy": -22.96512715,
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"updated_at": "2021-11-28T01:39:17.301000Z",
"spacegroup": 221
}
]
}