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"results": [
{
"id": "mp-752637",
"created_at": "2022-09-04T14:42:13.205493Z",
"structure_string": "Ho2 Br2 O2\n1.0\n3.836031 0.000000 0.000000\n0.000000 4.164108 0.000000\n0.000000 0.000000 9.175319\nHo Br O\n2 2 2\ndirect\n0.500000 0.500000 0.113525 Ho\n0.000000 0.000000 0.886475 Ho\n0.000000 0.500000 0.340710 Br\n0.500000 0.000000 0.659290 Br\n0.000000 0.500000 0.975848 O\n0.500000 0.000000 0.024152 O\n",
"nsites": 6,
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"O"
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"volume": 146.56331026233065,
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{
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"spacegroup": 227
},
{
"id": "mp-1094482",
"created_at": "2022-09-04T14:42:04.018256Z",
"structure_string": "Y1 Mg5\n1.0\n1.631915 -8.551807 0.000000\n1.631915 8.551807 0.000000\n0.000000 0.000000 5.366906\nY Mg\n1 5\ndirect\n0.778636 0.221364 0.000000 Y\n0.999712 0.000288 0.500000 Mg\n0.334269 0.665731 0.500000 Mg\n0.665606 0.334394 0.500000 Mg\n0.109166 0.890834 0.000000 Mg\n0.445944 0.554056 0.000000 Mg\n",
"nsites": 6,
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"elements": [
"Y",
"Mg"
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"density": 2.332647404097543,
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"volume": 149.79917094586864,
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"formula_full": "Y1 Mg5",
"formula_reduced": "YMg5",
"formula_anonymous": "AB5",
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"energy_per_atom": -2.423891568333333,
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"updated_at": "2021-11-28T01:35:44.283000Z",
"spacegroup": 38
},
{
"id": "mp-1094446",
"created_at": "2022-09-04T14:42:13.609132Z",
"structure_string": "Y2 Mg4\n1.0\n2.961214 -5.128972 0.000000\n2.961214 5.128972 0.000000\n0.000000 0.000000 5.215998\nY Mg\n2 4\ndirect\n0.333333 0.666667 0.500000 Y\n0.666667 0.333333 0.500000 Y\n0.680750 0.000000 0.000000 Mg\n0.000000 0.680750 0.000000 Mg\n0.319250 0.319250 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n",
"nsites": 6,
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"Y",
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"chemical_system": "Mg-Y",
"density": 2.882466819103659,
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"volume": 158.4409851230927,
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"formula_full": "Y2 Mg4",
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"formula_anonymous": "AB2",
"energy": -19.15951551,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.268000Z",
"spacegroup": 189
},
{
"id": "mp-2850",
"created_at": "2022-09-04T14:42:13.647908Z",
"structure_string": "B4 Os2\n1.0\n2.887289 0.000000 0.000000\n0.000000 4.091241 0.000000\n0.000000 0.000000 4.709187\nB Os\n4 2\ndirect\n0.000000 0.361962 0.805916 B\n0.500000 0.638038 0.694084 B\n0.000000 0.361962 0.194084 B\n0.500000 0.638038 0.305916 B\n0.000000 0.844959 0.000000 Os\n0.500000 0.155041 0.500000 Os\n",
"nsites": 6,
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"elements": [
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"density": 12.647957738388936,
"density_atomic": 0.1078598953799323,
"volume": 55.62771944906151,
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"formula_full": "B4 Os2",
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"energy": -50.45030917,
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"energy_uncorrected": -50.45030917,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:35:37.437000Z",
"spacegroup": 59
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{
"id": "mp-972454",
"created_at": "2022-09-04T14:42:08.927581Z",
"structure_string": "Sm4 Mg2\n1.0\n1.885368 -8.700314 0.000000\n1.885368 8.700314 0.000000\n0.000000 0.000000 5.590058\nSm Mg\n4 2\ndirect\n0.089979 0.910021 0.250000 Sm\n0.772488 0.227512 0.250000 Sm\n0.910021 0.089979 0.750000 Sm\n0.227512 0.772488 0.750000 Sm\n0.432571 0.567429 0.250000 Mg\n0.567429 0.432571 0.750000 Mg\n",
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"elements": [
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"Mg"
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"density": 5.885976068440004,
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"volume": 183.39072529212962,
"volume_molar": 18.40674602979494,
"formula_full": "Sm4 Mg2",
"formula_reduced": "Sm2Mg",
"formula_anonymous": "AB2",
"energy": -22.41231667,
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"updated_at": "2021-11-28T01:35:41.871000Z",
"spacegroup": 63
},
{
"id": "mp-1206330",
"created_at": "2022-09-04T14:42:08.271834Z",
"structure_string": "Dy2 Al2 Si2\n1.0\n2.008891 -5.137966 0.000000\n2.008891 5.137966 0.000000\n0.000000 0.000000 5.686151\nDy Al Si\n2 2 2\ndirect\n0.694315 0.305685 0.250000 Dy\n0.305685 0.694315 0.750000 Dy\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.400177 0.599823 0.250000 Si\n0.599823 0.400177 0.750000 Si\n",
"nsites": 6,
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"Al",
"Si"
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"chemical_system": "Al-Dy-Si",
"density": 6.1556824812738204,
"density_atomic": 0.05111581234103503,
"volume": 117.38050762001266,
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"formula_full": "Dy2 Al2 Si2",
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"formula_anonymous": "ABC",
"energy": -31.141221020000003,
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"updated_at": "2021-11-28T01:35:41.619000Z",
"spacegroup": 63
},
{
"id": "mp-1094595",
"created_at": "2022-09-04T14:42:12.630462Z",
"structure_string": "Mg4 Sb2\n1.0\n2.805227 4.771501 0.000000\n-2.805227 4.771501 0.000000\n0.000000 4.415378 5.328781\nMg Sb\n4 2\ndirect\n0.222236 0.432511 0.755899 Mg\n0.567489 0.777764 0.744101 Mg\n0.432511 0.222236 0.255899 Mg\n0.777764 0.567489 0.244101 Mg\n0.131367 0.868633 0.250000 Sb\n0.868633 0.131367 0.750000 Sb\n",
"nsites": 6,
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"Sb"
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"volume": 142.65299604515351,
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"formula_full": "Mg4 Sb2",
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"formula_anonymous": "AB2",
"energy": -15.88103285,
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"updated_at": "2021-11-28T01:35:47.895000Z",
"spacegroup": 15
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{
"id": "mp-952566",
"created_at": "2022-09-04T14:42:13.194938Z",
"structure_string": "Na2 Sn2 Sb2\n1.0\n2.185196 -3.784871 0.000000\n2.185196 3.784871 0.000000\n0.000000 0.000000 11.897466\nNa Sn Sb\n2 2 2\ndirect\n0.333333 0.666667 0.999290 Na\n0.666667 0.333333 0.499290 Na\n0.000000 0.000000 0.305016 Sn\n0.000000 0.000000 0.805016 Sn\n0.333333 0.666667 0.680194 Sb\n0.666667 0.333333 0.180194 Sb\n",
"nsites": 6,
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"Sn",
"Sb"
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"volume": 196.80038644781425,
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"formula_full": "Na2 Sn2 Sb2",
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"formula_anonymous": "ABC",
"energy": -20.70313281,
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"updated_at": "2021-11-28T01:35:35.792000Z",
"spacegroup": 186
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{
"id": "mp-22152",
"created_at": "2022-09-04T14:42:12.651264Z",
"structure_string": "Na2 Fe2 As2\n1.0\n3.923688 0.000000 0.000000\n0.000000 3.923688 0.000000\n0.000000 0.000000 6.918844\nNa Fe As\n2 2 2\ndirect\n0.000000 0.500000 0.348247 Na\n0.500000 0.000000 0.651753 Na\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.000000 0.185848 As\n0.000000 0.500000 0.814152 As\n",
"nsites": 6,
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"formula_full": "Na2 Fe2 As2",
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{
"id": "mp-30562",
"created_at": "2022-09-04T14:42:13.899993Z",
"structure_string": "Sc4 Co2\n1.0\n-3.150105 3.150105 2.820300\n3.150105 -3.150105 2.820300\n3.150105 3.150105 -2.820300\nSc Co\n4 2\ndirect\n0.322172 0.822172 0.144345 Sc\n0.822172 0.677828 0.500000 Sc\n0.677828 0.177828 0.855655 Sc\n0.177828 0.322172 0.500000 Sc\n0.250000 0.250000 0.000000 Co\n0.750000 0.750000 0.000000 Co\n",
"nsites": 6,
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"density": 4.415786223151739,
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"volume": 111.94516963817522,
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"formula_full": "Sc4 Co2",
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"updated_at": "2021-11-28T01:35:51.015000Z",
"spacegroup": 140
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{
"id": "mp-1094429",
"created_at": "2022-09-04T14:42:13.575656Z",
"structure_string": "Mg3 Zn3\n1.0\n1.583574 -2.742831 0.000000\n1.583574 2.742831 0.000000\n0.000000 0.000000 13.177621\nMg Zn\n3 3\ndirect\n0.000000 0.000000 0.008617 Mg\n0.000000 0.000000 0.676649 Mg\n0.333333 0.666667 0.482654 Mg\n0.333333 0.666667 0.842968 Zn\n0.000000 0.000000 0.316684 Zn\n0.333333 0.666667 0.172428 Zn\n",
"nsites": 6,
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"volume": 114.47335735858951,
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"formula_full": "Mg3 Zn3",
"formula_reduced": "MgZn",
"formula_anonymous": "AB",
"energy": -8.56601995,
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"total_magnetization": 5.5e-06,
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"updated_at": "2021-11-28T01:35:39.363000Z",
"spacegroup": 156
}
]
}