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"results": [
{
"id": "mp-1187",
"created_at": "2022-09-04T14:39:24.056152Z",
"structure_string": "Th2 Ir4\n1.0\n0.000000 3.857827 3.857827\n3.857827 0.000000 3.857827\n3.857827 3.857827 0.000000\nTh Ir\n2 4\ndirect\n0.250000 0.250000 0.250000 Th\n0.000000 0.000000 0.000000 Th\n0.625000 0.625000 0.625000 Ir\n0.125000 0.625000 0.625000 Ir\n0.625000 0.125000 0.625000 Ir\n0.625000 0.625000 0.125000 Ir\n",
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{
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"created_at": "2022-09-04T14:42:05.599429Z",
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"nsites": 8,
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"updated_at": "2021-11-28T01:35:32.998000Z",
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},
{
"id": "mp-1219773",
"created_at": "2022-09-04T14:39:18.369763Z",
"structure_string": "Pu3 Al1\n1.0\n-1.883943 -1.883943 0.000000\n0.000000 1.883943 -1.883943\n5.398361 -7.282305 -7.282305\nPu Al\n3 1\ndirect\n0.511520 0.255760 0.232720 Pu\n0.000000 0.500000 0.500000 Pu\n0.488480 0.744240 0.767280 Pu\n0.000000 0.000000 0.000000 Al\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Al-Pu",
"density": 17.787692632387767,
"density_atomic": 0.056454595226367976,
"volume": 70.8533996915762,
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"formula_full": "Pu3 Al1",
"formula_reduced": "Pu3Al",
"formula_anonymous": "AB3",
"energy": -45.34407243,
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"energy_uncorrected": -45.34407243,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:29.776000Z",
"spacegroup": 166
},
{
"id": "mp-1187452",
"created_at": "2022-09-04T14:41:20.461576Z",
"structure_string": "Th1 Pt3\n1.0\n4.241451 0.000000 0.000000\n0.000000 4.241451 0.000000\n0.000000 0.000000 4.241451\nTh Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Th\n0.000000 0.500000 0.500000 Pt\n0.500000 0.000000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Pt-Th",
"density": 17.786150061032053,
"density_atomic": 0.05242236729664022,
"volume": 76.30330727655564,
"volume_molar": 11.48773142182376,
"formula_full": "Th1 Pt3",
"formula_reduced": "ThPt3",
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"energy": -29.92357885,
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"updated_at": "2021-11-28T01:35:10.515000Z",
"spacegroup": 221
},
{
"id": "mp-1206110",
"created_at": "2022-09-04T14:41:47.077424Z",
"structure_string": "Mn1 Cu1 Pt6\n1.0\n0.000000 3.918789 3.918789\n3.918789 0.000000 3.918789\n3.918789 3.918789 0.000000\nMn Cu Pt\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.000000 Pt\n0.000000 0.500000 0.500000 Pt\n0.000000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.000000 0.000000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Cu-Mn-Pt",
"density": 17.783299806177777,
"density_atomic": 0.06646673570791266,
"volume": 120.36095822662199,
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"formula_full": "Mn1 Cu1 Pt6",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:26.381000Z",
"spacegroup": 225
},
{
"id": "mp-866127",
"created_at": "2022-09-04T14:45:11.853740Z",
"structure_string": "Lu1 Ta1 Os2\n1.0\n0.000000 3.251861 3.251861\n3.251861 0.000000 3.251861\n3.251861 3.251861 0.000000\nLu Ta Os\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Ta\n0.750000 0.750000 0.750000 Os\n0.250000 0.250000 0.250000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Ta",
"Os"
],
"chemical_system": "Lu-Os-Ta",
"density": 17.779606555527458,
"density_atomic": 0.05816129598109411,
"volume": 68.77425842264998,
"volume_molar": 10.354206622145343,
"formula_full": "Lu1 Ta1 Os2",
"formula_reduced": "LuTaOs2",
"formula_anonymous": "ABC2",
"energy": -40.3463525,
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"energy_uncorrected": -40.3463525,
"band_gap": 0.0,
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"total_magnetization": 9.18e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:48.865000Z",
"spacegroup": 225
},
{
"id": "mp-1089",
"created_at": "2022-09-04T14:43:17.818946Z",
"structure_string": "Ti1 Ir3\n1.0\n3.878496 0.000000 0.000000\n0.000000 3.878496 0.000000\n0.000000 0.000000 3.878496\nTi Ir\n1 3\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Ir"
],
"chemical_system": "Ir-Ti",
"density": 17.774770992323113,
"density_atomic": 0.06855986404204596,
"volume": 58.34317287366418,
"volume_molar": 8.783769985755484,
"formula_full": "Ti1 Ir3",
"formula_reduced": "TiIr3",
"formula_anonymous": "AB3",
"energy": -37.34248254,
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"updated_at": "2021-11-28T01:36:13.293000Z",
"spacegroup": 221
},
{
"id": "mp-1206028",
"created_at": "2022-09-04T14:42:18.159460Z",
"structure_string": "U1 Pd1 Pt4\n1.0\n0.000000 3.747208 3.747208\n3.747208 0.000000 3.747208\n3.747208 3.747208 0.000000\nU Pd Pt\n1 1 4\ndirect\n0.250000 0.250000 0.250000 U\n0.000000 0.000000 0.000000 Pd\n0.625330 0.625330 0.625330 Pt\n0.625330 0.625330 0.124009 Pt\n0.625330 0.124009 0.625330 Pt\n0.124009 0.625330 0.625330 Pt\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "Pd-Pt-U",
"density": 17.748644116781556,
"density_atomic": 0.05701614535743097,
"volume": 105.23335034991126,
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"formula_full": "U1 Pd1 Pt4",
"formula_reduced": "UPdPt4",
"formula_anonymous": "ABC4",
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"updated_at": "2021-11-28T01:35:31.540000Z",
"spacegroup": 216
},
{
"id": "mp-623066",
"created_at": "2022-09-04T14:42:15.844541Z",
"structure_string": "Ga4 Pt12\n1.0\n5.548571 0.000000 0.000000\n0.000000 5.548571 0.000000\n0.000000 0.000000 7.963983\nGa Pt\n4 12\ndirect\n0.000000 0.500000 0.754203 Ga\n0.500000 0.000000 0.245797 Ga\n0.000000 0.500000 0.245797 Ga\n0.500000 0.000000 0.754203 Ga\n0.225941 0.274059 0.000000 Pt\n0.788707 0.288707 0.500000 Pt\n0.725941 0.225941 0.000000 Pt\n0.774059 0.725941 0.000000 Pt\n0.500000 0.500000 0.748642 Pt\n0.288707 0.211293 0.500000 Pt\n0.711293 0.788707 0.500000 Pt\n0.211293 0.711293 0.500000 Pt\n0.500000 0.500000 0.251358 Pt\n0.000000 0.000000 0.748642 Pt\n0.000000 0.000000 0.251358 Pt\n0.274059 0.774059 0.000000 Pt\n",
"nsites": 16,
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"elements": [
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"chemical_system": "Ga-Pt",
"density": 17.74357770133841,
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"volume": 245.18427871833208,
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"formula_full": "Ga4 Pt12",
"formula_reduced": "GaPt3",
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"updated_at": "2021-11-28T01:35:43.208000Z",
"spacegroup": 127
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{
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"created_at": "2022-09-04T14:44:55.063841Z",
"structure_string": "V1 Re11 B4\n1.0\n1.466594 -4.672650 0.000000\n1.466594 4.672650 0.000000\n0.000000 0.000000 14.633306\nV Re B\n1 11 4\ndirect\n0.571174 0.428826 0.000000 V\n0.864897 0.135103 0.092150 Re\n0.866626 0.133374 0.592744 Re\n0.137151 0.862849 0.151726 Re\n0.134178 0.865822 0.658713 Re\n0.864897 0.135103 0.907850 Re\n0.866626 0.133374 0.407256 Re\n0.134178 0.865822 0.341287 Re\n0.137151 0.862849 0.848274 Re\n0.576817 0.423183 0.500000 Re\n0.426119 0.573881 0.248436 Re\n0.426119 0.573881 0.751564 Re\n0.250006 0.749994 0.000000 B\n0.254788 0.745212 0.500000 B\n0.744636 0.255364 0.249120 B\n0.744636 0.255364 0.750880 B\n",
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{
"id": "mp-865400",
"created_at": "2022-09-04T14:40:57.017362Z",
"structure_string": "Th2 Pt6\n1.0\n2.966689 -5.138457 0.000000\n2.966689 5.138457 0.000000\n0.000000 0.000000 5.019243\nTh Pt\n2 6\ndirect\n0.333333 0.666667 0.750000 Th\n0.666667 0.333333 0.250000 Th\n0.160231 0.320463 0.250000 Pt\n0.679537 0.839769 0.250000 Pt\n0.160231 0.839769 0.250000 Pt\n0.839769 0.679537 0.750000 Pt\n0.320463 0.160231 0.750000 Pt\n0.839769 0.160231 0.750000 Pt\n",
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"formula_full": "Th2 Pt6",
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{
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}
]
}