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{
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"results": [
{
"id": "mp-2149",
"created_at": "2022-09-04T14:43:37.013808Z",
"structure_string": "Np2 Ir4\n1.0\n0.000000 3.740235 3.740235\n3.740235 0.000000 3.740235\n3.740235 3.740235 0.000000\nNp Ir\n2 4\ndirect\n0.750000 0.750000 0.750000 Np\n0.500000 0.500000 0.500000 Np\n0.125000 0.625000 0.125000 Ir\n0.125000 0.125000 0.625000 Ir\n0.625000 0.125000 0.125000 Ir\n0.125000 0.125000 0.125000 Ir\n",
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{
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},
{
"id": "mp-1007693",
"created_at": "2022-09-04T14:48:07.677795Z",
"structure_string": "Hf1 Os3\n1.0\n3.973561 0.000000 0.000000\n0.000000 3.973561 0.000000\n0.000000 0.000000 3.973561\nHf Os\n1 3\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.000000 Os\n0.500000 0.000000 0.500000 Os\n0.000000 0.500000 0.500000 Os\n",
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"updated_at": "2021-11-28T01:38:29.701000Z",
"spacegroup": 221
},
{
"id": "mp-567638",
"created_at": "2022-09-04T14:40:16.473759Z",
"structure_string": "Ta4 Pt12\n1.0\n5.612048 0.000000 0.000000\n0.000000 4.936813 0.000000\n0.000000 1.727357 9.235969\nTa Pt\n4 12\ndirect\n0.250000 0.376808 0.877995 Ta\n0.750000 0.623192 0.122005 Ta\n0.250000 0.214377 0.372739 Ta\n0.750000 0.785623 0.627261 Ta\n0.250000 0.611308 0.124154 Pt\n0.750000 0.388692 0.875846 Pt\n0.250000 0.793488 0.627090 Pt\n0.750000 0.206512 0.372910 Pt\n0.498420 0.876474 0.874296 Pt\n0.998420 0.123526 0.125704 Pt\n0.501580 0.123526 0.125704 Pt\n0.001580 0.876474 0.874296 Pt\n0.500985 0.708529 0.376467 Pt\n0.000985 0.291471 0.623533 Pt\n0.499015 0.291471 0.623533 Pt\n0.999015 0.708529 0.376467 Pt\n",
"nsites": 16,
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"elements": [
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"chemical_system": "Pt-Ta",
"density": 19.88843672346732,
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"volume": 255.88835387207246,
"volume_molar": 9.631223036639446,
"formula_full": "Ta4 Pt12",
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"energy": -131.63532405,
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"updated_at": "2021-11-28T01:34:51.352000Z",
"spacegroup": 11
},
{
"id": "mp-30850",
"created_at": "2022-09-04T14:42:18.006373Z",
"structure_string": "Ta2 Pt6\n1.0\n4.614172 0.000000 0.000000\n0.000000 4.934149 0.000000\n0.000000 0.000000 5.613769\nTa Pt\n2 6\ndirect\n0.500000 0.660372 0.500000 Ta\n0.000000 0.339628 0.000000 Ta\n0.000000 0.833788 0.250127 Pt\n0.500000 0.166212 0.249873 Pt\n0.000000 0.833788 0.749873 Pt\n0.500000 0.166212 0.750127 Pt\n0.000000 0.341714 0.500000 Pt\n0.500000 0.658286 0.000000 Pt\n",
"nsites": 8,
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"elements": [
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"density": 19.909511087290774,
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"volume": 127.8087470843427,
"volume_molar": 9.621028316264391,
"formula_full": "Ta2 Pt6",
"formula_reduced": "TaPt3",
"formula_anonymous": "AB3",
"energy": -65.81526083,
"energy_per_atom": -8.22690760375,
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"updated_at": "2021-11-28T01:35:42.967000Z",
"spacegroup": 59
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{
"id": "mp-1219711",
"created_at": "2022-09-04T14:42:56.999658Z",
"structure_string": "Pt1 W1\n1.0\n4.681122 -1.406686 0.000000\n4.681122 1.406686 0.000000\n4.258410 0.000000 2.399502\nPt W\n1 1\ndirect\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 0.500000 W\n",
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"elements": [
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"W"
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"chemical_system": "Pt-W",
"density": 19.91145394563403,
"density_atomic": 0.06328951369578265,
"volume": 31.60081162281504,
"volume_molar": 9.515226786141811,
"formula_full": "Pt1 W1",
"formula_reduced": "PtW",
"formula_anonymous": "AB",
"energy": -19.12008856,
"energy_per_atom": -9.56004428,
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"energy_uncorrected": -19.12008856,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 1e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.034000Z",
"spacegroup": 166
},
{
"id": "mp-30822",
"created_at": "2022-09-04T14:40:38.136083Z",
"structure_string": "Pu2 Os4\n1.0\n0.000000 3.731542 3.731542\n3.731542 0.000000 3.731542\n3.731542 3.731542 0.000000\nPu Os\n2 4\ndirect\n0.500000 0.500000 0.500000 Pu\n0.750000 0.750000 0.750000 Pu\n0.125000 0.125000 0.125000 Os\n0.625000 0.125000 0.125000 Os\n0.125000 0.625000 0.125000 Os\n0.125000 0.125000 0.625000 Os\n",
"nsites": 6,
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"elements": [
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"chemical_system": "Os-Pu",
"density": 19.95669958346479,
"density_atomic": 0.05773727094042405,
"volume": 103.91900937249136,
"volume_molar": 10.430248368015038,
"formula_full": "Pu2 Os4",
"formula_reduced": "PuOs2",
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"energy": -71.21862862,
"energy_per_atom": -11.869771436666667,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:06.146000Z",
"spacegroup": 227
},
{
"id": "mp-974416",
"created_at": "2022-09-04T14:45:10.093403Z",
"structure_string": "Re3 W1\n1.0\n-1.978743 1.978743 3.939141\n1.978743 -1.978743 3.939141\n1.978743 1.978743 -3.939141\nRe W\n3 1\ndirect\n0.750000 0.250000 0.500000 Re\n0.250000 0.750000 0.500000 Re\n0.500000 0.500000 0.000000 Re\n0.000000 0.000000 0.000000 W\n",
"nsites": 4,
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"volume": 61.693626637989105,
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"formula_full": "Re3 W1",
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"formula_anonymous": "AB3",
"energy": -49.78170289,
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"energy_uncorrected": -49.78170289,
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"updated_at": "2021-11-28T01:36:48.643000Z",
"spacegroup": 139
},
{
"id": "mp-974408",
"created_at": "2022-09-04T14:42:28.617347Z",
"structure_string": "Re6 W2\n1.0\n2.796082 -4.842956 0.000000\n2.796082 4.842956 0.000000\n0.000000 0.000000 4.551902\nRe W\n6 2\ndirect\n0.166291 0.332583 0.250000 Re\n0.667417 0.833709 0.250000 Re\n0.166291 0.833709 0.250000 Re\n0.833709 0.667417 0.750000 Re\n0.332583 0.166291 0.750000 Re\n0.833709 0.166291 0.750000 Re\n0.333333 0.666667 0.750000 W\n0.666667 0.333333 0.250000 W\n",
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"elements": [
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"density": 20.001815318582718,
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"volume": 123.2773602085495,
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"spacegroup": 194
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{
"id": "mp-2840",
"created_at": "2022-09-04T14:44:19.799183Z",
"structure_string": "Pu2 Ir4\n1.0\n0.000000 3.734003 3.734003\n3.734003 0.000000 3.734003\n3.734003 3.734003 0.000000\nPu Ir\n2 4\ndirect\n0.250000 0.250000 0.250000 Pu\n0.000000 0.000000 0.000000 Pu\n0.625000 0.125000 0.625000 Ir\n0.625000 0.625000 0.125000 Ir\n0.125000 0.625000 0.625000 Ir\n0.625000 0.625000 0.625000 Ir\n",
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{
"id": "mp-2126",
"created_at": "2022-09-04T14:42:25.890536Z",
"structure_string": "Hf1 Ir3\n1.0\n3.968030 0.000000 0.000000\n0.000000 3.968030 0.000000\n0.000000 0.000000 3.968030\nHf Ir\n1 3\ndirect\n0.000000 0.000000 0.000000 Hf\n0.000000 0.500000 0.500000 Ir\n0.500000 0.500000 0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n",
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"volume": 62.477672294873635,
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"formula_full": "Hf1 Ir3",
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{
"id": "mp-978096",
"created_at": "2022-09-04T14:42:07.321874Z",
"structure_string": "Pu3 Au1\n1.0\n0.000000 3.368213 3.368213\n3.368213 0.000000 3.368213\n3.368213 3.368213 0.000000\nPu Au\n3 1\ndirect\n0.250000 0.250000 0.250000 Pu\n0.750000 0.750000 0.750000 Pu\n0.500000 0.500000 0.500000 Pu\n0.000000 0.000000 0.000000 Au\n",
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"volume": 76.42380187670807,
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"formula_full": "Pu3 Au1",
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"updated_at": "2021-11-28T01:35:37.667000Z",
"spacegroup": 225
}
]
}