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{
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"results": [
{
"id": "mp-1096062",
"created_at": "2022-09-04T14:44:40.268029Z",
"structure_string": "La1 Zn2 Cd1\n1.0\n-5.863676 6.840634 9.660962\n5.863676 -6.840634 9.660962\n5.863676 6.840634 -9.660962\nLa Zn Cd\n1 2 1\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.243123 0.243123 Zn\n0.000000 0.756877 0.756877 Zn\n0.000000 0.000000 0.000000 Cd\n",
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{
"id": "mp-1097227",
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"updated_at": "2021-11-28T01:37:16.991000Z",
"spacegroup": 71
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{
"id": "mp-1182562",
"created_at": "2022-09-04T14:42:27.994273Z",
"structure_string": "Bi2 Pd3 S2\n1.0\n11.765509 12.044002 0.000000\n-11.765509 12.044002 0.000000\n0.000000 4.573997 9.558598\nBi Pd S\n2 3 2\ndirect\n0.000000 0.000000 0.000000 Bi\n0.000000 0.000000 0.500000 Bi\n0.000000 0.500000 0.500000 Pd\n0.500000 0.000000 0.500000 Pd\n0.500000 0.500000 0.500000 Pd\n0.430210 0.430210 0.707300 S\n0.569790 0.569790 0.292700 S\n",
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],
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"volume": 2708.9795847903333,
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"formula_full": "Bi2 Pd3 S2",
"formula_reduced": "Bi2Pd3S2",
"formula_anonymous": "A2B2C3",
"energy": -16.40577043,
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"energy_uncorrected": -15.399770429999998,
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"updated_at": "2021-11-28T01:35:48.524000Z",
"spacegroup": 12
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{
"id": "mp-1095972",
"created_at": "2022-09-04T14:47:22.444443Z",
"structure_string": "Sr2 Hg1 Ge1\n1.0\n-6.410819 6.531191 9.241228\n6.410819 -6.531191 9.241228\n6.410819 6.531191 -9.241228\nSr Hg Ge\n2 1 1\ndirect\n0.000000 0.224059 0.224059 Sr\n0.000000 0.775941 0.775941 Sr\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
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"volume": 1547.7313396484974,
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"formula_full": "Sr2 Hg1 Ge1",
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"updated_at": "2021-11-28T01:38:06.774000Z",
"spacegroup": 71
},
{
"id": "mp-1207357",
"created_at": "2022-09-04T14:41:11.047047Z",
"structure_string": "Ho3 Tl1 S6\n1.0\n6.068079 -9.216539 0.000000\n6.068079 9.216539 0.000000\n0.000000 0.000000 34.587478\nHo Tl S\n3 1 6\ndirect\n0.000000 0.000000 0.500000 Ho\n0.500000 0.000000 0.000000 Ho\n0.000000 0.500000 0.000000 Ho\n0.000000 0.000000 0.000000 Tl\n0.000000 0.000000 0.231357 S\n0.000000 0.000000 0.768643 S\n0.271172 0.972209 0.000000 S\n0.728828 0.027791 0.000000 S\n0.972209 0.271172 0.000000 S\n0.027791 0.728828 0.000000 S\n",
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],
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"density": 0.38267823760913544,
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"volume": 3868.7260957506223,
"volume_molar": 232.9801311049549,
"formula_full": "Ho3 Tl1 S6",
"formula_reduced": "Ho3TlS6",
"formula_anonymous": "AB3C6",
"energy": -33.24602415,
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"updated_at": "2021-11-28T01:35:23.497000Z",
"spacegroup": 65
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{
"id": "mp-1207131",
"created_at": "2022-09-04T14:46:37.326838Z",
"structure_string": "Rb1 Yb3 S6\n1.0\n4.979198 -10.600125 0.000000\n4.979198 10.600125 0.000000\n0.000000 0.000000 36.640339\nRb Yb S\n1 3 6\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Yb\n0.500000 0.000000 0.000000 Yb\n0.000000 0.500000 0.000000 Yb\n0.000000 0.000000 0.230699 S\n0.000000 0.000000 0.769301 S\n0.252314 0.958508 0.000000 S\n0.747686 0.041492 0.000000 S\n0.958508 0.252314 0.000000 S\n0.041492 0.747686 0.000000 S\n",
"nsites": 10,
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"elements": [
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"Yb",
"S"
],
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"density": 0.34216490239436476,
"density_atomic": 0.0025854737811550244,
"volume": 3867.7630664398534,
"volume_molar": 232.9221361243003,
"formula_full": "Rb1 Yb3 S6",
"formula_reduced": "Rb(YbS2)3",
"formula_anonymous": "AB3C6",
"energy": -28.98164621,
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"updated_at": "2021-11-28T01:37:38.293000Z",
"spacegroup": 65
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{
"id": "mp-1097111",
"created_at": "2022-09-04T14:46:05.077376Z",
"structure_string": "Na1 Y1 Tl2\n1.0\n-6.250238 6.610890 9.348702\n6.250238 -6.610890 9.348702\n6.250238 6.610890 -9.348702\nNa Y Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Y\n0.000000 0.251198 0.251198 Tl\n0.000000 0.748802 0.748802 Tl\n",
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"elements": [
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"Y",
"Tl"
],
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"density": 0.5595480274273745,
"density_atomic": 0.002588762433327504,
"volume": 1545.1398508045177,
"volume_molar": 232.62624188575512,
"formula_full": "Na1 Y1 Tl2",
"formula_reduced": "NaYTl2",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:37:20.022000Z",
"spacegroup": 71
},
{
"id": "mp-1077305",
"created_at": "2022-09-04T14:42:29.172705Z",
"structure_string": "Tl2 Cl4\n1.0\n5.179284 16.892919 0.000000\n-5.179284 16.892919 0.000000\n0.000000 2.314405 13.235718\nTl Cl\n2 4\ndirect\n0.032923 0.032923 0.708384 Tl\n0.967077 0.967077 0.291616 Tl\n0.102114 0.102114 0.600275 Cl\n0.897886 0.897886 0.399725 Cl\n0.531818 0.531818 0.709293 Cl\n0.468182 0.468182 0.290707 Cl\n",
"nsites": 6,
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"elements": [
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"Cl"
],
"chemical_system": "Cl-Tl",
"density": 0.3947448730169604,
"density_atomic": 0.002590593812129248,
"volume": 2316.0713084034237,
"volume_molar": 232.46179049004647,
"formula_full": "Tl2 Cl4",
"formula_reduced": "TlCl2",
"formula_anonymous": "AB2",
"energy": -14.013476649999998,
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"updated_at": "2021-11-28T01:35:47.977000Z",
"spacegroup": 12
},
{
"id": "mp-1096448",
"created_at": "2022-09-04T14:39:38.090029Z",
"structure_string": "Ca1 Sc1 Tl2\n1.0\n-5.965728 6.762335 9.543433\n5.965728 -6.762335 9.543433\n5.965728 6.762335 -9.543433\nCa Sc Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Sc\n0.000000 0.260943 0.260943 Tl\n0.000000 0.739057 0.739057 Tl\n",
"nsites": 4,
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"Sc",
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"density": 0.5324463856228999,
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"volume": 1540.014287680453,
"volume_molar": 231.85457032057056,
"formula_full": "Ca1 Sc1 Tl2",
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"updated_at": "2021-11-28T01:34:39.475000Z",
"spacegroup": 71
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{
"id": "mp-1095838",
"created_at": "2022-09-04T14:47:15.977204Z",
"structure_string": "Na2 Tl1 Hg1\n1.0\n-6.369666 6.538755 9.236986\n6.369666 -6.538755 9.236986\n6.369666 6.538755 -9.236986\nNa Tl Hg\n2 1 1\ndirect\n0.000000 0.249656 0.249656 Na\n0.000000 0.750344 0.750344 Na\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Hg\n",
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"volume": 1538.870243992224,
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"formula_full": "Na2 Tl1 Hg1",
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"spacegroup": 71
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{
"id": "mp-1093796",
"created_at": "2022-09-04T14:47:10.296051Z",
"structure_string": "Sr1 Ca1 Pb2\n1.0\n-6.383069 6.429656 9.369479\n6.383069 -6.429656 9.369479\n6.383069 6.429656 -9.369479\nSr Ca Pb\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Ca\n0.243709 0.000000 0.243709 Pb\n0.756291 0.000000 0.756291 Pb\n",
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"volume": 1538.1288229624429,
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"formula_full": "Sr1 Ca1 Pb2",
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"updated_at": "2021-11-28T01:37:53.532000Z",
"spacegroup": 71
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{
"id": "mp-1096579",
"created_at": "2022-09-04T14:48:01.421852Z",
"structure_string": "K1 Ba1 Au2\n1.0\n-6.253271 6.592001 9.327025\n6.253271 -6.592001 9.327025\n6.253271 6.592001 -9.327025\nK Ba Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.500000 0.500000 Ba\n0.000000 0.251434 0.251434 Au\n0.000000 0.748566 0.748566 Au\n",
"nsites": 4,
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"density": 0.6158420245174586,
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"volume": 1537.898406666959,
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"formula_full": "K1 Ba1 Au2",
"formula_reduced": "KBaAu2",
"formula_anonymous": "ABC2",
"energy": -8.05592849,
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"updated_at": "2021-11-28T01:38:23.972000Z",
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}
]
}