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{
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"results": [
{
"id": "mp-983062",
"created_at": "2022-09-04T14:46:14.252810Z",
"structure_string": "K3 Cd1\n1.0\n0.000000 4.685085 4.685085\n4.685085 0.000000 4.685085\n4.685085 4.685085 0.000000\nK Cd\n3 1\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Cd\n",
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{
"id": "mp-1093762",
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"structure_string": "K1 Na2 Pb1\n1.0\n-5.874457 6.842160 8.814197\n5.874457 -6.842160 8.814197\n5.874457 6.842160 -8.814197\nK Na Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 K\n0.277970 0.000000 0.277970 Na\n0.722030 0.000000 0.722030 Na\n0.500000 0.000000 0.500000 Pb\n",
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"spacegroup": 71
},
{
"id": "mp-975043",
"created_at": "2022-09-04T14:45:40.243249Z",
"structure_string": "Rb3 Ca1\n1.0\n-3.298006 3.298006 6.795757\n3.298006 -3.298006 6.795757\n3.298006 3.298006 -6.795757\nRb Ca\n3 1\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 4,
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"density": 1.6651211413656577,
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"volume": 295.6655434790067,
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"formula_full": "Rb3 Ca1",
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:16.822000Z",
"spacegroup": 139
},
{
"id": "mp-982780",
"created_at": "2022-09-04T14:42:49.240253Z",
"structure_string": "K3 Cd1\n1.0\n5.952904 0.000000 0.000000\n0.000000 5.952904 0.000000\n0.000000 0.000000 5.952904\nK Cd\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 Cd\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Cd-K",
"density": 1.8081506460964707,
"density_atomic": 0.018961528998325032,
"volume": 210.9534521373957,
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"formula_full": "K3 Cd1",
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"updated_at": "2021-11-28T01:35:52.093000Z",
"spacegroup": 221
},
{
"id": "mp-1062055",
"created_at": "2022-09-04T14:43:05.784293Z",
"structure_string": "Br3\n1.0\n4.594252 0.000000 0.000000\n0.000000 4.594252 0.000000\n0.000000 0.000000 4.594252\nBr\n3\ndirect\n0.500000 0.000000 0.000000 Br\n0.000000 0.500000 0.000000 Br\n0.000000 0.000000 0.500000 Br\n",
"nsites": 3,
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"elements": [
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"density": 4.104822986646732,
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"volume": 96.97157271524414,
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"formula_full": "Br3",
"formula_reduced": "Br",
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"energy": -3.11029283,
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},
{
"id": "mp-604325",
"created_at": "2022-09-04T14:41:17.501526Z",
"structure_string": "K2\n1.0\n3.129391 3.113852 0.000000\n-3.129391 3.113852 0.000000\n0.000000 2.991758 7.891759\nK\n2\ndirect\n0.363817 0.636183 0.750000 K\n0.636183 0.363817 0.250000 K\n",
"nsites": 2,
"nelements": 1,
"elements": [
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"chemical_system": "K",
"density": 0.8442583443643122,
"density_atomic": 0.013003743357955325,
"volume": 153.8018665045751,
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"formula_full": "K2",
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"energy": -2.07371566,
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"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.287000Z",
"spacegroup": 15
},
{
"id": "mp-1186898",
"created_at": "2022-09-04T14:43:39.965821Z",
"structure_string": "Rb1 Yb1\n1.0\n2.129637 -3.688639 0.000000\n2.129637 3.688639 0.000000\n0.000000 0.000000 7.575161\nRb Yb\n1 1\ndirect\n0.000000 0.000000 0.500000 Rb\n0.666667 0.333333 0.000000 Yb\n",
"nsites": 2,
"nelements": 2,
"elements": [
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"Yb"
],
"chemical_system": "Rb-Yb",
"density": 3.606858862206193,
"density_atomic": 0.01680491789970396,
"volume": 119.0127801835457,
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"formula_full": "Rb1 Yb1",
"formula_reduced": "RbYb",
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"energy": -2.07374185,
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"energy_above_hull": null,
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"total_magnetization": 0.0950279,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:20.266000Z",
"spacegroup": 187
},
{
"id": "mp-1097521",
"created_at": "2022-09-04T14:45:22.026942Z",
"structure_string": "Ca2 Tl1 Ga1\n1.0\n-6.054758 7.338699 10.157767\n6.054758 -7.338699 10.157767\n6.054758 7.338699 -10.157767\nCa Tl Ga\n2 1 1\ndirect\n0.000000 0.241451 0.241451 Ca\n0.000000 0.758549 0.758549 Ca\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
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"elements": [
"Ca",
"Tl",
"Ga"
],
"chemical_system": "Ca-Ga-Tl",
"density": 0.325836650243054,
"density_atomic": 0.002215572103730671,
"volume": 1805.4027640376207,
"volume_molar": 271.80973933819047,
"formula_full": "Ca2 Tl1 Ga1",
"formula_reduced": "Ca2TlGa",
"formula_anonymous": "ABC2",
"energy": -4.1498721,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:01.717000Z",
"spacegroup": 71
},
{
"id": "mp-1180961",
"created_at": "2022-09-04T14:46:53.432617Z",
"structure_string": "K2\n1.0\n-2.213986 2.213986 7.907082\n2.213986 -2.213986 7.907082\n2.213986 2.213986 -7.907082\nK\n2\ndirect\n0.250000 0.750000 0.500000 K\n0.500000 0.500000 0.000000 K\n",
"nsites": 2,
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"elements": [
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"density": 0.8375504824566326,
"density_atomic": 0.012900425084217978,
"volume": 155.03365097997775,
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"formula_full": "K2",
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"updated_at": "2021-11-28T01:37:41.111000Z",
"spacegroup": 141
},
{
"id": "mp-1009651",
"created_at": "2022-09-04T14:42:55.994153Z",
"structure_string": "Ca1 Hg2\n1.0\n2.702903 -4.681565 0.000000\n2.702903 4.681565 0.000000\n0.000000 0.000000 3.589869\nCa Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666667 0.333333 0.946832 Hg\n0.333333 0.666667 0.053168 Hg\n",
"nsites": 3,
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"elements": [
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"density": 8.065133774496399,
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"volume": 90.8510841775263,
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"formula_full": "Ca1 Hg2",
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"updated_at": "2021-11-28T01:36:06.551000Z",
"spacegroup": 164
},
{
"id": "mp-1097338",
"created_at": "2022-09-04T14:39:16.740144Z",
"structure_string": "Ca2 Zn1 Pb1\n1.0\n-6.245206 6.669501 9.428726\n6.245206 -6.669501 9.428726\n6.245206 6.669501 -9.428726\nCa Zn Pb\n2 1 1\ndirect\n0.000000 0.257838 0.257838 Ca\n0.000000 0.742162 0.742162 Ca\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"density": 0.37289062965291175,
"density_atomic": 0.002546284195575974,
"volume": 1570.9165563489637,
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"formula_full": "Ca2 Zn1 Pb1",
"formula_reduced": "Ca2ZnPb",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:34:44.191000Z",
"spacegroup": 71
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{
"id": "mp-1094830",
"created_at": "2022-09-04T14:40:37.007748Z",
"structure_string": "Mg1 Cd5\n1.0\n1.598064 5.894294 0.000000\n-1.598064 5.894294 0.000000\n0.000000 2.024227 7.088267\nMg Cd\n1 5\ndirect\n0.611629 0.611629 0.276264 Mg\n0.001195 0.001195 0.003695 Cd\n0.332226 0.332226 0.333150 Cd\n0.945915 0.945915 0.609462 Cd\n0.666648 0.666648 0.662514 Cd\n0.275720 0.275720 0.948249 Cd\n",
"nsites": 6,
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"density": 7.291508855192368,
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"volume": 133.5352814387946,
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"formula_full": "Mg1 Cd5",
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"formula_anonymous": "AB5",
"energy": -6.265834210000001,
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"updated_at": "2021-11-28T01:35:05.369000Z",
"spacegroup": 8
}
]
}