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{
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"results": [
{
"id": "mp-1097465",
"created_at": "2022-09-04T14:42:18.911150Z",
"structure_string": "Li1 Hf1 Hg2\n1.0\n-5.700303 5.853177 8.273968\n5.700303 -5.853177 8.273968\n5.700303 5.853177 -8.273968\nLi Hf Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Hf\n0.000000 0.240055 0.240055 Hg\n0.000000 0.759945 0.759945 Hg\n",
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{
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},
{
"id": "mp-1008910",
"created_at": "2022-09-04T14:42:54.713634Z",
"structure_string": "Lu1 Cd2\n1.0\n2.691046 -4.661028 0.000000\n2.691046 4.661028 0.000000\n0.000000 0.000000 3.217336\nLu Cd\n1 2\ndirect\n0.000000 0.000000 0.000000 Lu\n0.666667 0.333333 0.953359 Cd\n0.333333 0.666667 0.046641 Cd\n",
"nsites": 3,
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"elements": [
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"volume": 80.71035314291055,
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"formula_full": "Lu1 Cd2",
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"is_magnetic": false,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:35:55.980000Z",
"spacegroup": 164
},
{
"id": "mp-1058119",
"created_at": "2022-09-04T14:40:37.696675Z",
"structure_string": "K1 S1\n1.0\n0.000000 3.255507 3.255507\n3.255507 0.000000 3.255507\n3.255507 3.255507 0.000000\nK S\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 S\n",
"nsites": 2,
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"elements": [
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"S"
],
"chemical_system": "K-S",
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"density_atomic": 0.028983050896488907,
"volume": 69.00584783647763,
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"formula_full": "K1 S1",
"formula_reduced": "KS",
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"energy": -6.44012583,
"energy_per_atom": -3.220062915,
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"band_gap": 0.0,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:34:59.557000Z",
"spacegroup": 225
},
{
"id": "mp-1006882",
"created_at": "2022-09-04T14:48:06.054709Z",
"structure_string": "Cd1 C1\n1.0\n0.000000 2.593333 2.593333\n2.593333 0.000000 2.593333\n2.593333 2.593333 0.000000\nCd C\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.250000 0.250000 0.250000 C\n",
"nsites": 2,
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"elements": [
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"C"
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"density": 5.922981461882066,
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"volume": 34.88227928998691,
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"formula_full": "Cd1 C1",
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:38:22.822000Z",
"spacegroup": 216
},
{
"id": "mp-28",
"created_at": "2022-09-04T14:46:40.447969Z",
"structure_string": "Ce1\n1.0\n0.000000 2.360218 2.360218\n2.360218 0.000000 2.360218\n2.360218 2.360218 0.000000\nCe\n1\ndirect\n0.000000 0.000000 0.000000 Ce\n",
"nsites": 1,
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"elements": [
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"density": 8.848109284372958,
"density_atomic": 0.038028890054505424,
"volume": 26.295797709760564,
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"formula_full": "Ce1",
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"updated_at": "2021-11-28T01:37:42.837000Z",
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{
"id": "mp-1096746",
"created_at": "2022-09-04T14:43:41.609278Z",
"structure_string": "Li2 Sc1 Tl1\n1.0\n-6.561858 7.275677 10.214323\n6.561858 -7.275677 10.214323\n6.561858 7.275677 -10.214323\nLi Sc Tl\n2 1 1\ndirect\n0.000000 0.258233 0.258233 Li\n0.000000 0.741767 0.741767 Li\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Tl\n",
"nsites": 4,
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"elements": [
"Li",
"Sc",
"Tl"
],
"chemical_system": "Li-Sc-Tl",
"density": 0.22407848784415435,
"density_atomic": 0.002050643540919159,
"volume": 1950.6071729107448,
"volume_molar": 293.67077406835415,
"formula_full": "Li2 Sc1 Tl1",
"formula_reduced": "Li2ScTl",
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"energy_uncorrected": -5.93120139,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.798000Z",
"spacegroup": 71
},
{
"id": "mp-1093987",
"created_at": "2022-09-04T14:39:48.744305Z",
"structure_string": "La2 Mg1 In1\n1.0\n-6.272669 6.413873 8.674547\n6.272669 -6.413873 8.674547\n6.272669 6.413873 -8.674547\nLa Mg In\n2 1 1\ndirect\n0.000000 0.262881 0.262881 La\n0.000000 0.737119 0.737119 La\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 In\n",
"nsites": 4,
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"elements": [
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"Mg",
"In"
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"chemical_system": "In-La-Mg",
"density": 0.4959487776003232,
"density_atomic": 0.002865368407754199,
"volume": 1395.9810505257492,
"volume_molar": 210.16985961396833,
"formula_full": "La2 Mg1 In1",
"formula_reduced": "La2MgIn",
"formula_anonymous": "ABC2",
"energy": -5.92850234,
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"updated_at": "2021-11-28T01:34:42.376000Z",
"spacegroup": 71
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{
"id": "mp-984762",
"created_at": "2022-09-04T14:40:18.496383Z",
"structure_string": "Cs1 Y1\n1.0\n1.921708 -3.328495 0.000000\n1.921708 3.328495 0.000000\n0.000000 0.000000 7.510495\nCs Y\n1 1\ndirect\n0.333333 0.666667 0.500000 Cs\n0.000000 0.000000 0.000000 Y\n",
"nsites": 2,
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"elements": [
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"Y"
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"density": 3.8335303363139213,
"density_atomic": 0.020815944997607555,
"volume": 96.08019238280397,
"volume_molar": 28.93042213885627,
"formula_full": "Cs1 Y1",
"formula_reduced": "CsY",
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"updated_at": "2021-11-28T01:34:52.913000Z",
"spacegroup": 187
},
{
"id": "mp-1016237",
"created_at": "2022-09-04T14:42:46.738718Z",
"structure_string": "Mg3 Cd1\n1.0\n3.227146 0.000000 0.000000\n0.000000 5.093342 0.000000\n0.000000 0.000000 5.398160\nMg Cd\n3 1\ndirect\n0.000000 0.000000 0.667716 Mg\n0.000000 0.500000 0.332816 Mg\n0.500000 0.500000 0.833587 Mg\n0.500000 0.000000 0.165882 Cd\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Cd-Mg",
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"volume": 88.72933061123084,
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"formula_full": "Mg3 Cd1",
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"updated_at": "2021-11-28T01:35:49.355000Z",
"spacegroup": 25
},
{
"id": "mp-1039293",
"created_at": "2022-09-04T14:44:57.359612Z",
"structure_string": "Mg3 Cd1\n1.0\n-2.288927 2.288927 4.224501\n2.288927 -2.288927 4.224501\n2.288927 2.288927 -4.224501\nMg Cd\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.250000 0.750000 0.500000 Mg\n0.750000 0.250000 0.500000 Mg\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
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"spacegroup": 139
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{
"id": "mp-1094505",
"created_at": "2022-09-04T14:45:56.463798Z",
"structure_string": "Mg2 Zn2\n1.0\n1.537518 5.186061 0.000000\n-1.537518 5.186061 0.000000\n0.000000 1.804953 4.630653\nMg Zn\n2 2\ndirect\n0.889084 0.889084 0.812151 Mg\n0.110916 0.110916 0.187849 Mg\n0.642933 0.642933 0.672156 Zn\n0.357067 0.357067 0.327844 Zn\n",
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]
}