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"results": [
{
"id": "mp-1113564",
"created_at": "2022-09-04T14:42:59.563921Z",
"structure_string": "Rb2 Hg1 As1 Br6\n1.0\n0.000000 5.627349 5.627349\n5.627349 0.000000 5.627349\n5.627349 5.627349 0.000000\nRb Hg As Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 As\n0.761675 0.238325 0.238325 Br\n0.238325 0.238325 0.761675 Br\n0.238325 0.761675 0.761675 Br\n0.238325 0.761675 0.238325 Br\n0.761675 0.238325 0.761675 Br\n0.761675 0.761675 0.238325 Br\n",
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"volume": 356.4031604704563,
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"formula_full": "Rb2 Hg1 As1 Br6",
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{
"id": "mp-12701",
"created_at": "2022-09-04T14:44:30.814707Z",
"structure_string": "Nd2 Sn4\n1.0\n2.261869 -8.105587 0.000000\n2.261869 8.105587 0.000000\n0.000000 0.000000 4.605048\nNd Sn\n2 4\ndirect\n0.855273 0.144727 0.000000 Nd\n0.144727 0.855273 0.000000 Nd\n0.500000 0.500000 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.685111 0.314889 0.500000 Sn\n0.314889 0.685111 0.500000 Sn\n",
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"volume": 168.85583665346098,
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"updated_at": "2021-11-28T01:36:40.842000Z",
"spacegroup": 65
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{
"id": "mp-1179774",
"created_at": "2022-09-04T14:41:56.906315Z",
"structure_string": "Rb12 Pd4\n1.0\n-5.990459 5.990459 5.990459\n5.990459 -5.990459 5.990459\n5.990459 5.990459 -5.990459\nRb Pd\n12 4\ndirect\n0.300917 0.116257 0.815340 Rb\n0.699083 0.883743 0.184660 Rb\n0.300917 0.485576 0.184660 Rb\n0.699083 0.514424 0.815340 Rb\n0.815340 0.300917 0.116257 Rb\n0.184660 0.699083 0.883743 Rb\n0.184660 0.300917 0.485576 Rb\n0.815340 0.699083 0.514424 Rb\n0.116257 0.815340 0.300917 Rb\n0.883743 0.184660 0.699083 Rb\n0.485576 0.184660 0.300917 Rb\n0.514424 0.815340 0.699083 Rb\n0.000000 0.000000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 16,
"nelements": 2,
"elements": [
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"chemical_system": "Pd-Rb",
"density": 2.802619154737095,
"density_atomic": 0.018607142816402255,
"volume": 859.8848387349374,
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"formula_full": "Rb12 Pd4",
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"formula_anonymous": "AB3",
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"updated_at": "2021-11-28T01:35:33.164000Z",
"spacegroup": 204
},
{
"id": "mp-1079097",
"created_at": "2022-09-04T14:39:17.290578Z",
"structure_string": "Er3 Mg3 Ag3\n1.0\n3.768945 -6.528004 0.000000\n3.768945 6.528004 0.000000\n0.000000 0.000000 4.282893\nEr Mg Ag\n3 3 3\ndirect\n0.414659 0.414659 0.500000 Er\n0.585341 0.000000 0.500000 Er\n0.000000 0.585341 0.500000 Er\n0.754618 0.754618 0.000000 Mg\n0.245382 0.000000 0.000000 Mg\n0.000000 0.245382 0.000000 Mg\n0.666667 0.333333 0.000000 Ag\n0.333333 0.666667 0.000000 Ag\n0.000000 0.000000 0.500000 Ag\n",
"nsites": 9,
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"elements": [
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],
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"density": 7.077851092466335,
"density_atomic": 0.04270464122283635,
"volume": 210.7499265252518,
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"formula_full": "Er3 Mg3 Ag3",
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"formula_anonymous": "ABC",
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"updated_at": "2021-11-28T01:34:39.912000Z",
"spacegroup": 189
},
{
"id": "mp-22142",
"created_at": "2022-09-04T14:40:20.550794Z",
"structure_string": "Si2 Se4\n1.0\n-4.512868 4.512868 2.961580\n4.512868 -4.512868 2.961580\n4.512868 4.512868 -2.961580\nSi Se\n2 4\ndirect\n0.750000 0.250000 0.500000 Si\n0.250000 0.750000 0.500000 Si\n0.137893 0.362107 0.500000 Se\n0.637893 0.137893 0.775787 Se\n0.862107 0.637893 0.500000 Se\n0.362107 0.862107 0.224213 Se\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "Se-Si",
"density": 2.560449165329134,
"density_atomic": 0.02486924088980998,
"volume": 241.26188758976005,
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"formula_full": "Si2 Se4",
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"formula_anonymous": "AB2",
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"updated_at": "2021-11-28T01:34:52.048000Z",
"spacegroup": 140
},
{
"id": "mp-1026576",
"created_at": "2022-09-04T14:45:20.339303Z",
"structure_string": "Ba1 Mg14 C1\n1.0\n6.749151 0.369142 0.000000\n-3.054890 5.291224 0.000000\n0.000000 0.000000 10.324162\nBa Mg C\n1 14 1\ndirect\n0.116399 0.308199 0.125000 Ba\n0.165611 0.332805 0.625000 Mg\n0.146298 0.823149 0.625000 Mg\n0.592378 0.277797 0.125000 Mg\n0.656604 0.333259 0.625000 Mg\n0.592378 0.814580 0.125000 Mg\n0.656604 0.823344 0.625000 Mg\n0.345961 0.165455 0.383509 Mg\n0.345961 0.165455 0.866491 Mg\n0.345961 0.680507 0.383509 Mg\n0.345961 0.680507 0.866491 Mg\n0.824577 0.162289 0.395338 Mg\n0.824577 0.162289 0.854662 Mg\n0.869954 0.684977 0.332598 Mg\n0.869954 0.684977 0.917402 Mg\n0.300820 0.900410 0.125000 C\n",
"nsites": 16,
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"elements": [
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"Mg",
"C"
],
"chemical_system": "Ba-C-Mg",
"density": 2.1376430597840708,
"density_atomic": 0.042068578268210956,
"volume": 380.33136984071484,
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"formula_full": "Ba1 Mg14 C1",
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"formula_anonymous": "ABC14",
"energy": -29.40859185,
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"updated_at": "2021-11-28T01:36:55.369000Z",
"spacegroup": 38
},
{
"id": "mp-1223291",
"created_at": "2022-09-04T14:44:49.898338Z",
"structure_string": "La2 Cu3 Ni1\n1.0\n3.894142 0.000000 0.000000\n0.000000 4.316330 0.000000\n0.000000 0.000000 7.315892\nLa Cu Ni\n2 3 1\ndirect\n0.000000 0.500000 0.010210 La\n0.000000 0.000000 0.492400 La\n0.500000 0.000000 0.832980 Cu\n0.500000 0.000000 0.168547 Cu\n0.500000 0.500000 0.665115 Cu\n0.500000 0.500000 0.330748 Ni\n",
"nsites": 6,
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"Cu",
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],
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"density": 7.118414730768973,
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"volume": 122.96845327729034,
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"formula_full": "La2 Cu3 Ni1",
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"formula_anonymous": "AB2C3",
"energy": -29.409695209999995,
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"updated_at": "2021-11-28T01:36:44.104000Z",
"spacegroup": 25
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{
"id": "mp-973750",
"created_at": "2022-09-04T14:43:11.380546Z",
"structure_string": "Lu2 Te4\n1.0\n4.415898 0.000000 0.000000\n0.000000 4.415898 0.000000\n0.000000 0.000000 8.715548\nLu Te\n2 4\ndirect\n0.000000 0.500000 0.270844 Lu\n0.500000 0.000000 0.729156 Lu\n0.500000 0.500000 0.000000 Te\n0.000000 0.000000 0.000000 Te\n0.000000 0.500000 0.627608 Te\n0.500000 0.000000 0.372392 Te\n",
"nsites": 6,
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"elements": [
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"Te"
],
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"density": 8.40588449460131,
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"volume": 169.9545381859311,
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"formula_full": "Lu2 Te4",
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"energy": -29.410587050000004,
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"updated_at": "2021-11-28T01:36:06.532000Z",
"spacegroup": 129
},
{
"id": "mp-23483",
"created_at": "2022-09-04T14:47:38.663328Z",
"structure_string": "Rb2 Cr1 Cl4\n1.0\n-3.199153 3.199153 10.544222\n3.199153 -3.199153 10.544222\n3.199153 3.199153 -10.544222\nRb Cr Cl\n2 1 4\ndirect\n0.273271 0.273271 0.000000 Rb\n0.726729 0.726729 0.000000 Rb\n0.000000 0.000000 0.000000 Cr\n0.103130 0.103130 0.000000 Cl\n0.896870 0.896870 0.000000 Cl\n0.750000 0.250000 0.500000 Cl\n0.250000 0.750000 0.500000 Cl\n",
"nsites": 7,
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{
"id": "mp-541899",
"created_at": "2022-09-04T14:39:43.062014Z",
"structure_string": "Cs2 Cd2 Br6\n1.0\n3.938605 -6.821864 0.000000\n3.938605 6.821864 0.000000\n0.000000 0.000000 6.919144\nCs Cd Br\n2 2 6\ndirect\n0.333333 0.666667 0.750000 Cs\n0.666667 0.333333 0.250000 Cs\n0.000000 0.000000 0.000000 Cd\n0.000000 0.000000 0.500000 Cd\n0.163551 0.836449 0.250000 Br\n0.327103 0.163551 0.750000 Br\n0.836449 0.672897 0.750000 Br\n0.163551 0.327103 0.250000 Br\n0.672897 0.836449 0.250000 Br\n0.836449 0.163551 0.750000 Br\n",
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"formula_full": "Cs2 Cd2 Br6",
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"updated_at": "2021-11-28T01:34:36.259000Z",
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{
"id": "mp-1101163",
"created_at": "2022-09-04T14:44:14.288169Z",
"structure_string": "Yb1 Pr1 O2\n1.0\n5.896456 -1.722748 0.000000\n5.896456 1.722748 0.000000\n5.393127 0.000000 2.941130\nYb Pr O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Pr\n0.257817 0.257817 0.257817 O\n0.742183 0.742183 0.742183 O\n",
"nsites": 4,
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"elements": [
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"formula_full": "Yb1 Pr1 O2",
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{
"id": "mp-1147651",
"created_at": "2022-09-04T14:42:58.622429Z",
"structure_string": "Sn4 Au4\n1.0\n5.686019 0.000000 0.000000\n0.000000 5.686019 0.000000\n0.000000 0.000000 5.686019\nSn Au\n4 4\ndirect\n0.155158 0.344842 0.655158 Sn\n0.344842 0.655158 0.155158 Sn\n0.655158 0.155158 0.344842 Sn\n0.844842 0.844842 0.844842 Sn\n0.834499 0.665501 0.334499 Au\n0.665501 0.334499 0.834499 Au\n0.334499 0.834499 0.665501 Au\n0.165501 0.165501 0.165501 Au\n",
"nsites": 8,
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"density": 11.405820086322574,
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"volume": 183.83361170612994,
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"formula_full": "Sn4 Au4",
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}
]
}