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"results": [
{
"id": "mp-1110886",
"created_at": "2022-09-04T14:47:18.506959Z",
"structure_string": "K3 Ga1 Br6\n1.0\n0.000000 5.667810 5.667810\n5.667810 0.000000 5.667810\n5.667810 5.667810 0.000000\nK Ga Br\n3 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Ga\n0.773916 0.226084 0.226084 Br\n0.226084 0.226084 0.773916 Br\n0.226084 0.773916 0.773916 Br\n0.226084 0.773916 0.226084 Br\n0.773916 0.226084 0.773916 Br\n0.773916 0.773916 0.226084 Br\n",
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{
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"structure_string": "Co4 Ge1\n1.0\n9.891716 -1.312495 0.000000\n9.891716 1.312495 0.000000\n9.717566 0.000000 2.266628\nCo Ge\n4 1\ndirect\n0.598840 0.598840 0.598840 Co\n0.200320 0.200320 0.200320 Co\n0.799680 0.799680 0.799680 Co\n0.401160 0.401160 0.401160 Co\n0.000000 0.000000 0.000000 Ge\n",
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"formula_full": "Co4 Ge1",
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"spacegroup": 166
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{
"id": "mp-1223875",
"created_at": "2022-09-04T14:46:04.872383Z",
"structure_string": "K2 Zn3 Ge1 As4\n1.0\n2.922456 -7.292953 0.000000\n2.922456 7.292953 0.000000\n0.000000 0.000000 5.833283\nK Zn Ge As\n2 3 1 4\ndirect\n0.500000 0.000000 0.247428 K\n0.000000 0.500000 0.752572 K\n0.500000 0.500000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Ge\n0.650213 0.864313 0.756983 As\n0.135687 0.349787 0.243017 As\n0.864313 0.650213 0.243017 As\n0.349787 0.135687 0.756983 As\n",
"nsites": 10,
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"As"
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"density_atomic": 0.04021661946308401,
"volume": 248.6534207376452,
"volume_molar": 14.974259001376023,
"formula_full": "K2 Zn3 Ge1 As4",
"formula_reduced": "K2Zn3GeAs4",
"formula_anonymous": "AB2C3D4",
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"updated_at": "2021-11-28T01:37:21.429000Z",
"spacegroup": 21
},
{
"id": "mp-722193",
"created_at": "2022-09-04T14:48:21.550076Z",
"structure_string": "N2 Cl2 O4\n1.0\n6.546496 0.000000 0.000000\n0.000000 6.546496 0.000000\n0.000000 0.000000 3.985541\nN Cl O\n2 2 4\ndirect\n0.500000 0.500000 0.994428 N\n0.000000 0.000000 0.994428 N\n0.000000 0.500000 0.286873 Cl\n0.500000 0.000000 0.286873 Cl\n0.363199 0.136801 0.484350 O\n0.636801 0.863199 0.484350 O\n0.863199 0.363199 0.484350 O\n0.136801 0.636801 0.484350 O\n",
"nsites": 8,
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"elements": [
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"Cl",
"O"
],
"chemical_system": "Cl-N-O",
"density": 1.5838367176143808,
"density_atomic": 0.04683654944604348,
"volume": 170.8067757898378,
"volume_molar": 12.857780582102043,
"formula_full": "N2 Cl2 O4",
"formula_reduced": "NClO2",
"formula_anonymous": "ABC2",
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"spacegroup": 100
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{
"id": "mp-1184312",
"created_at": "2022-09-04T14:39:32.046685Z",
"structure_string": "Eu3 Mg1\n1.0\n0.000000 4.205345 4.205345\n4.205345 0.000000 4.205345\n4.205345 4.205345 0.000000\nEu Mg\n3 1\ndirect\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Eu\n0.750000 0.750000 0.750000 Eu\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Eu-Mg",
"density": 5.360849968092681,
"density_atomic": 0.026892123951005292,
"volume": 148.74243504483292,
"volume_molar": 22.393697020628515,
"formula_full": "Eu3 Mg1",
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"energy": -32.36845606,
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"updated_at": "2021-11-28T01:34:36.208000Z",
"spacegroup": 225
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{
"id": "mp-1187905",
"created_at": "2022-09-04T14:46:59.441186Z",
"structure_string": "Yb1 Be1 O3\n1.0\n3.547431 0.000000 0.000000\n0.000000 3.547431 0.000000\n0.000000 0.000000 3.547431\nYb Be O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Be\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"O"
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"density": 8.557170505085995,
"density_atomic": 0.11200260755654101,
"volume": 44.64181780299987,
"volume_molar": 5.376786211838783,
"formula_full": "Yb1 Be1 O3",
"formula_reduced": "YbBeO3",
"formula_anonymous": "ABC3",
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"total_magnetization": 1.999494,
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"updated_at": "2021-11-28T01:37:48.168000Z",
"spacegroup": 221
},
{
"id": "mp-1111739",
"created_at": "2022-09-04T14:40:39.954940Z",
"structure_string": "Na2 Li1 Bi1 Br6\n1.0\n0.000000 5.538814 5.538814\n5.538814 0.000000 5.538814\n5.538814 5.538814 0.000000\nNa Li Bi Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Bi\n0.743116 0.256884 0.256884 Br\n0.256884 0.256884 0.743116 Br\n0.256884 0.743116 0.743116 Br\n0.256884 0.743116 0.256884 Br\n0.743116 0.256884 0.743116 Br\n0.743116 0.743116 0.256884 Br\n",
"nsites": 10,
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"elements": [
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"Li",
"Bi",
"Br"
],
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"density": 3.6222412189048963,
"density_atomic": 0.029425216068988454,
"volume": 339.8445733263147,
"volume_molar": 20.465918570932082,
"formula_full": "Na2 Li1 Bi1 Br6",
"formula_reduced": "Na2LiBiBr6",
"formula_anonymous": "ABC2D6",
"energy": -32.36716807,
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{
"id": "mp-864988",
"created_at": "2022-09-04T14:40:59.065377Z",
"structure_string": "Mn2 Al1 Cr1\n1.0\n0.000000 2.867072 2.867072\n2.867072 0.000000 2.867072\n2.867072 2.867072 0.000000\nMn Al Cr\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Mn\n0.750000 0.750000 0.750000 Mn\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Cr\n",
"nsites": 4,
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"elements": [
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"Al",
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"density": 6.653173779223157,
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"volume": 47.13524772082391,
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"formula_full": "Mn2 Al1 Cr1",
"formula_reduced": "Mn2AlCr",
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"energy": -32.36688943,
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{
"id": "mp-978994",
"created_at": "2022-09-04T14:41:29.756288Z",
"structure_string": "Tm1 Pa3\n1.0\n4.706554 0.000000 0.000000\n0.000000 4.706554 0.000000\n0.000000 0.000000 4.706554\nTm Pa\n1 3\ndirect\n0.000000 0.000000 0.000000 Tm\n0.000000 0.500000 0.500000 Pa\n0.500000 0.000000 0.500000 Pa\n0.500000 0.500000 0.000000 Pa\n",
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{
"id": "mp-568925",
"created_at": "2022-09-04T14:42:50.454280Z",
"structure_string": "Ni2 Sn4 Au1\n1.0\n9.085255 -2.140178 0.000000\n9.085255 2.140178 0.000000\n8.581101 0.000000 3.672454\nNi Sn Au\n2 4 1\ndirect\n0.599418 0.599418 0.599418 Ni\n0.400582 0.400582 0.400582 Ni\n0.700311 0.700311 0.700311 Sn\n0.888577 0.888577 0.888577 Sn\n0.299689 0.299689 0.299689 Sn\n0.111423 0.111423 0.111423 Sn\n0.500000 0.500000 0.500000 Au\n",
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"formula_full": "Ni2 Sn4 Au1",
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{
"id": "mp-1226750",
"created_at": "2022-09-04T14:42:03.871956Z",
"structure_string": "Ce1 Ga2 Ni3\n1.0\n2.585144 -4.266621 0.000000\n2.585144 4.266621 0.000000\n0.000000 0.000000 4.133986\nCe Ga Ni\n1 2 3\ndirect\n0.500000 0.500000 0.000000 Ce\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n0.167032 0.832968 0.000000 Ni\n0.832968 0.167032 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n",
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"formula_full": "Ce1 Ga2 Ni3",
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"energy": -32.36342416,
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{
"id": "mp-980648",
"created_at": "2022-09-04T14:48:07.864195Z",
"structure_string": "Tm1 Th1 Ru2\n1.0\n0.000000 3.461774 3.461774\n3.461774 0.000000 3.461774\n3.461774 3.461774 0.000000\nTm Th Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 Th\n0.750000 0.750000 0.750000 Ru\n0.250000 0.250000 0.250000 Ru\n",
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"volume": 82.97096305486359,
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"formula_full": "Tm1 Th1 Ru2",
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"updated_at": "2021-11-28T01:38:31.854000Z",
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]
}