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{
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"results": [
{
"id": "mp-1236209",
"created_at": "2022-09-04T14:47:04.576255Z",
"structure_string": "Li1 Ag1 Cl1 O4\n1.0\n5.115937 0.150515 3.199479\n1.847220 4.773180 3.199479\n0.212861 0.150515 6.030271\nLi Ag Cl O\n1 1 1 4\ndirect\n0.328272 0.328272 0.328272 Li\n0.517246 0.517246 0.517246 Ag\n0.000525 0.000525 0.000525 Cl\n0.104720 0.686943 0.104720 O\n0.095075 0.095075 0.095075 O\n0.686943 0.104720 0.104720 O\n0.104720 0.104720 0.686943 O\n",
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{
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"structure_string": "Sb2 Pb6\n1.0\n3.678210 -6.370846 0.000000\n3.678210 6.370846 0.000000\n0.000000 0.000000 5.318409\nSb Pb\n2 6\ndirect\n0.333333 0.666667 0.750000 Sb\n0.666667 0.333333 0.250000 Sb\n0.169979 0.339959 0.250000 Pb\n0.660041 0.830021 0.250000 Pb\n0.169979 0.830021 0.250000 Pb\n0.830021 0.660041 0.750000 Pb\n0.339959 0.169979 0.750000 Pb\n0.830021 0.169979 0.750000 Pb\n",
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"formula_full": "Sb2 Pb6",
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"updated_at": "2021-11-28T01:36:28.068000Z",
"spacegroup": 194
},
{
"id": "mp-569006",
"created_at": "2022-09-04T14:39:29.462945Z",
"structure_string": "Sr1 As2 Rh2\n1.0\n-2.054176 2.054176 6.011974\n2.054176 -2.054176 6.011974\n2.054176 2.054176 -6.011974\nSr As Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.365043 0.365043 0.000000 As\n0.634957 0.634957 0.000000 As\n0.250000 0.750000 0.500000 Rh\n0.750000 0.250000 0.500000 Rh\n",
"nsites": 5,
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"elements": [
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"chemical_system": "As-Rh-Sr",
"density": 7.253859933726003,
"density_atomic": 0.04927397713347453,
"volume": 101.4734407668348,
"volume_molar": 12.22174687398803,
"formula_full": "Sr1 As2 Rh2",
"formula_reduced": "Sr(AsRh)2",
"formula_anonymous": "AB2C2",
"energy": -29.70472025,
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"updated_at": "2021-11-28T01:34:29.737000Z",
"spacegroup": 139
},
{
"id": "mp-2976",
"created_at": "2022-09-04T14:42:48.579876Z",
"structure_string": "Pr1 B1 Pd3\n1.0\n4.397572 0.000000 0.000000\n0.000000 4.397572 0.000000\n0.000000 0.000000 4.397572\nPr B Pd\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 B\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n",
"nsites": 5,
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"elements": [
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"chemical_system": "B-Pd-Pr",
"density": 9.196264244095067,
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"volume": 85.0430595621153,
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"formula_full": "Pr1 B1 Pd3",
"formula_reduced": "PrBPd3",
"formula_anonymous": "ABC3",
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"updated_at": "2021-11-28T01:35:48.947000Z",
"spacegroup": 221
},
{
"id": "mp-1214057",
"created_at": "2022-09-04T14:40:00.880545Z",
"structure_string": "Ca8 Pt2\n1.0\n-5.830417 -5.830417 0.000000\n-5.830417 0.000000 -5.830417\n0.000000 -5.830417 -5.830417\nCa Pt\n8 2\ndirect\n0.616637 0.616637 0.616637 Ca\n0.150089 0.616637 0.616637 Ca\n0.616637 0.150089 0.616637 Ca\n0.599911 0.133363 0.133363 Ca\n0.133363 0.133363 0.133363 Ca\n0.616637 0.616637 0.150089 Ca\n0.133363 0.599911 0.133363 Ca\n0.133363 0.133363 0.599911 Ca\n0.000000 0.000000 0.000000 Pt\n0.750000 0.750000 0.750000 Pt\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Ca-Pt",
"density": 2.9775754921357738,
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"volume": 396.3956203105822,
"volume_molar": 23.87150222157841,
"formula_full": "Ca8 Pt2",
"formula_reduced": "Ca4Pt",
"formula_anonymous": "AB4",
"energy": -29.70726444,
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"updated_at": "2021-11-28T01:34:44.347000Z",
"spacegroup": 227
},
{
"id": "mp-1027943",
"created_at": "2022-09-04T14:42:13.468064Z",
"structure_string": "K1 Mg14 Zr1\n1.0\n6.562020 -0.052050 0.000000\n-3.326087 5.760950 0.000000\n0.000000 0.000000 10.381489\nK Mg Zr\n1 14 1\ndirect\n0.163688 0.831844 0.125000 K\n0.165386 0.332692 0.625000 Mg\n0.167791 0.833895 0.625000 Mg\n0.662949 0.328551 0.125000 Mg\n0.667876 0.332004 0.625000 Mg\n0.662949 0.834397 0.125000 Mg\n0.667876 0.835871 0.625000 Mg\n0.334875 0.178451 0.382511 Mg\n0.334875 0.178451 0.867489 Mg\n0.334875 0.656425 0.382511 Mg\n0.334875 0.656425 0.867489 Mg\n0.838651 0.169326 0.371306 Mg\n0.838651 0.169326 0.878694 Mg\n0.820993 0.660497 0.385034 Mg\n0.820993 0.660497 0.864966 Mg\n0.182698 0.341349 0.125000 Zr\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Mg",
"Zr"
],
"chemical_system": "K-Mg-Zr",
"density": 2.000304220350906,
"density_atomic": 0.04095643241740451,
"volume": 390.6590260825738,
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"formula_full": "K1 Mg14 Zr1",
"formula_reduced": "KMg14Zr",
"formula_anonymous": "ABC14",
"energy": -29.70832299,
"energy_per_atom": -1.856770186875,
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"updated_at": "2021-11-28T01:35:39.493000Z",
"spacegroup": 38
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{
"id": "mp-999060",
"created_at": "2022-09-04T14:46:07.806201Z",
"structure_string": "Ti2 Co1 Si1\n1.0\n0.000000 3.014581 3.014581\n3.014581 0.000000 3.014581\n3.014581 3.014581 0.000000\nTi Co Si\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Ti\n0.500000 0.500000 0.500000 Co\n0.750000 0.750000 0.750000 Si\n",
"nsites": 4,
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"elements": [
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"Co",
"Si"
],
"chemical_system": "Co-Si-Ti",
"density": 5.538625732766032,
"density_atomic": 0.07300441460784314,
"volume": 54.79120710010138,
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"formula_full": "Ti2 Co1 Si1",
"formula_reduced": "Ti2CoSi",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:37:21.718000Z",
"spacegroup": 216
},
{
"id": "mp-1024985",
"created_at": "2022-09-04T14:39:14.178768Z",
"structure_string": "Er2 Al2 Ge2\n1.0\n2.028548 -5.179835 0.000000\n2.028548 5.179835 0.000000\n0.000000 0.000000 5.731814\nEr Al Ge\n2 2 2\ndirect\n0.689773 0.310227 0.250000 Er\n0.310227 0.689773 0.750000 Er\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.393093 0.606907 0.250000 Ge\n0.606907 0.393093 0.750000 Ge\n",
"nsites": 6,
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"Al",
"Ge"
],
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"density": 7.358218833741701,
"density_atomic": 0.04981130861857711,
"volume": 120.4545748023633,
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"formula_full": "Er2 Al2 Ge2",
"formula_reduced": "ErAlGe",
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"spacegroup": 63
},
{
"id": "mp-1246309",
"created_at": "2022-09-04T14:47:01.411604Z",
"structure_string": "Bi2 Te2 N2\n1.0\n4.072975 0.000000 0.000000\n0.000000 4.072975 0.000000\n0.000000 0.000000 9.925878\nBi Te N\n2 2 2\ndirect\n0.500000 0.000000 0.111951 Bi\n0.000000 0.500000 0.888049 Bi\n0.500000 0.000000 0.545586 Te\n0.000000 0.500000 0.454414 Te\n0.500000 0.500000 0.000000 N\n0.000000 0.000000 0.000000 N\n",
"nsites": 6,
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"formula_full": "Bi2 Te2 N2",
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{
"id": "mp-1185303",
"created_at": "2022-09-04T14:45:18.510517Z",
"structure_string": "Li1 Ge1 O3\n1.0\n3.727265 0.000000 0.000000\n0.000000 3.727265 0.000000\n0.000000 0.000000 3.727265\nLi Ge O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Ge\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"volume": 51.781045338759334,
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"formula_full": "Li1 Ge1 O3",
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{
"id": "mp-1028278",
"created_at": "2022-09-04T14:40:52.309520Z",
"structure_string": "Ca1 Ce1 Mg14\n1.0\n6.630734 0.000000 -0.000000\n-3.315367 5.742384 0.000000\n-0.000000 -0.000000 10.352853\nCa Ce Mg\n1 1 14\ndirect\n0.166667 0.333333 0.125000 Ca\n0.166667 0.333333 0.625000 Ce\n0.173479 0.836739 0.125000 Mg\n0.177762 0.838880 0.625000 Mg\n0.663261 0.326521 0.125000 Mg\n0.661120 0.322238 0.625000 Mg\n0.663261 0.836739 0.125000 Mg\n0.661120 0.838880 0.625000 Mg\n0.338431 0.161569 0.375638 Mg\n0.338431 0.161569 0.874362 Mg\n0.338431 0.676863 0.375638 Mg\n0.338431 0.676863 0.874362 Mg\n0.823137 0.161569 0.375638 Mg\n0.823137 0.161569 0.874362 Mg\n0.833333 0.666667 0.379566 Mg\n0.833333 0.666667 0.870434 Mg\n",
"nsites": 16,
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],
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"volume": 394.1975170470372,
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{
"id": "mp-862738",
"created_at": "2022-09-04T14:44:09.375549Z",
"structure_string": "Pu1 Cd1 Rh2\n1.0\n0.000000 3.300424 3.300424\n3.300424 0.000000 3.300424\n3.300424 3.300424 0.000000\nPu Cd Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.500000 0.500000 Cd\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
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"density": 12.984275682870477,
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"volume": 71.90170771971725,
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"formula_full": "Pu1 Cd1 Rh2",
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}
]
}