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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy&page=143",
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"results": [
{
"id": "mp-1187087",
"created_at": "2022-09-04T14:46:22.593714Z",
"structure_string": "Sr2 Li1 Cd1\n1.0\n0.000000 4.111179 4.111179\n4.111179 0.000000 4.111179\n4.111179 4.111179 0.000000\nSr Li Cd\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Cd\n",
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{
"id": "mp-1183573",
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"elements": [
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"updated_at": "2021-11-28T01:36:11.587000Z",
"spacegroup": 225
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{
"id": "mp-1097395",
"created_at": "2022-09-04T14:46:34.304902Z",
"structure_string": "Tl2 In1 Pb1\n1.0\n-5.766527 7.514047 8.680641\n5.766527 -7.514047 8.680641\n5.766527 7.514047 -8.680641\nTl In Pb\n2 1 1\ndirect\n0.000000 0.252926 0.252926 Tl\n0.000000 0.747074 0.747074 Tl\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"chemical_system": "In-Pb-Tl",
"density": 0.8065633058515917,
"density_atomic": 0.00265864264866434,
"volume": 1504.5271322979554,
"volume_molar": 226.51185419843574,
"formula_full": "Tl2 In1 Pb1",
"formula_reduced": "Tl2InPb",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:37:42.762000Z",
"spacegroup": 71
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{
"id": "mp-1097258",
"created_at": "2022-09-04T14:45:20.477976Z",
"structure_string": "Cd1 Hg1 Pd2\n1.0\n-5.277464 5.609844 7.933267\n5.277464 -5.609844 7.933267\n5.277464 5.609844 -7.933267\nCd Hg Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Hg\n0.000000 0.247288 0.247288 Pd\n0.000000 0.752712 0.752712 Pd\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Cd-Hg-Pd",
"density": 0.9294272818735252,
"density_atomic": 0.004257668701802117,
"volume": 939.4812701859458,
"volume_molar": 141.44221126108394,
"formula_full": "Cd1 Hg1 Pd2",
"formula_reduced": "CdHgPd2",
"formula_anonymous": "ABC2",
"energy": -6.87484207,
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"updated_at": "2021-11-28T01:37:06.828000Z",
"spacegroup": 71
},
{
"id": "mp-1093682",
"created_at": "2022-09-04T14:42:28.199308Z",
"structure_string": "Mg1 Sc2 Zn1\n1.0\n-5.863524 5.941002 8.496542\n5.863524 -5.941002 8.496542\n5.863524 5.941002 -8.496542\nMg Sc Zn\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.262711 0.262711 Sc\n0.000000 0.737289 0.737289 Sc\n0.000000 0.500000 0.500000 Zn\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Mg-Sc-Zn",
"density": 0.251940081374454,
"density_atomic": 0.003378620289356912,
"volume": 1183.9152249811896,
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"formula_full": "Mg1 Sc2 Zn1",
"formula_reduced": "MgSc2Zn",
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"energy_uncorrected": -6.87898948,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:49.924000Z",
"spacegroup": 71
},
{
"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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"elements": [
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"Sc",
"Tl"
],
"chemical_system": "Ca-Sc-Tl",
"density": 0.5324463856228999,
"density_atomic": 0.0025973784996662216,
"volume": 1540.014287680453,
"volume_molar": 231.85457032057056,
"formula_full": "Ca1 Sc1 Tl2",
"formula_reduced": "CaScTl2",
"formula_anonymous": "ABC2",
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.475000Z",
"spacegroup": 71
},
{
"id": "mp-974732",
"created_at": "2022-09-04T14:44:20.424279Z",
"structure_string": "Rb3 Y1\n1.0\n0.000000 5.108542 5.108542\n5.108542 0.000000 5.108542\n5.108542 5.108542 0.000000\nRb Y\n3 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Y\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Y"
],
"chemical_system": "Rb-Y",
"density": 2.150484957912394,
"density_atomic": 0.015001652140261564,
"volume": 266.6372985189255,
"volume_molar": 40.14318358867772,
"formula_full": "Rb3 Y1",
"formula_reduced": "Rb3Y",
"formula_anonymous": "AB3",
"energy": -6.88146653,
"energy_per_atom": -1.7203666325,
"energy_above_hull": null,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:33.740000Z",
"spacegroup": 225
},
{
"id": "mp-862689",
"created_at": "2022-09-04T14:43:01.253426Z",
"structure_string": "Cs6 Rb2\n1.0\n5.373780 -9.307660 0.000000\n5.373780 9.307660 0.000000\n0.000000 0.000000 8.714808\nCs Rb\n6 2\ndirect\n0.167849 0.335699 0.250000 Cs\n0.664301 0.832151 0.250000 Cs\n0.167849 0.832151 0.250000 Cs\n0.832151 0.664301 0.750000 Cs\n0.335699 0.167849 0.750000 Cs\n0.832151 0.167849 0.750000 Cs\n0.333333 0.666667 0.750000 Rb\n0.666667 0.333333 0.250000 Rb\n",
"nsites": 8,
"nelements": 2,
"elements": [
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],
"chemical_system": "Cs-Rb",
"density": 1.844511870386351,
"density_atomic": 0.009176599432285914,
"volume": 871.7826313583766,
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"formula_full": "Cs6 Rb2",
"formula_reduced": "Cs3Rb",
"formula_anonymous": "AB3",
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:02.901000Z",
"spacegroup": 194
},
{
"id": "mp-1183644",
"created_at": "2022-09-04T14:48:00.010107Z",
"structure_string": "Cd3 Ge1\n1.0\n-2.210347 2.210347 4.585876\n2.210347 -2.210347 4.585876\n2.210347 2.210347 -4.585876\nCd Ge\n3 1\ndirect\n0.750000 0.250000 0.500000 Cd\n0.250000 0.750000 0.500000 Cd\n0.500000 0.500000 0.000000 Cd\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Cd-Ge",
"density": 7.594430154875318,
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"volume": 89.61964426094794,
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"formula_full": "Cd3 Ge1",
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"updated_at": "2021-11-28T01:38:24.040000Z",
"spacegroup": 139
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{
"id": "mp-1184757",
"created_at": "2022-09-04T14:39:15.665905Z",
"structure_string": "K2 Cd1 Au1\n1.0\n0.000000 4.155040 4.155040\n4.155040 0.000000 4.155040\n4.155040 4.155040 0.000000\nK Cd Au\n2 1 1\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Au\n",
"nsites": 4,
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"elements": [
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"density": 4.485886687804088,
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"formula_full": "K2 Cd1 Au1",
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"updated_at": "2021-11-28T01:34:31.817000Z",
"spacegroup": 225
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{
"id": "mp-1185177",
"created_at": "2022-09-04T14:41:54.590557Z",
"structure_string": "K3 Th1\n1.0\n6.018195 0.000000 0.000000\n0.000000 6.018195 0.000000\n0.000000 0.000000 6.018195\nK Th\n3 1\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Th\n",
"nsites": 4,
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"updated_at": "2021-11-28T01:35:32.283000Z",
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{
"id": "mp-1039120",
"created_at": "2022-09-04T14:46:21.814032Z",
"structure_string": "Ca2 Mg2\n1.0\n1.818347 -3.149469 0.000000\n1.818347 3.149469 0.000000\n0.000000 0.000000 11.335599\nCa Mg\n2 2\ndirect\n0.666667 0.333333 0.643020 Ca\n0.333333 0.666667 0.356980 Ca\n0.333333 0.666667 0.887458 Mg\n0.666667 0.333333 0.112542 Mg\n",
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"formula_full": "Ca2 Mg2",
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"updated_at": "2021-11-28T01:37:33.464000Z",
"spacegroup": 164
}
]
}