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{
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"results": [
{
"id": "mp-1186828",
"created_at": "2022-09-04T14:42:06.839816Z",
"structure_string": "Rb4 Mg2\n1.0\n2.323554 7.696706 0.000000\n-2.323554 7.696706 0.000000\n0.000000 4.192199 10.371444\nRb Mg\n4 2\ndirect\n0.170490 0.170490 0.863008 Rb\n0.829510 0.829510 0.136992 Rb\n0.517558 0.517558 0.309037 Rb\n0.482442 0.482442 0.690963 Rb\n0.201836 0.201836 0.456970 Mg\n0.798164 0.798164 0.543030 Mg\n",
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{
"id": "mp-1058331",
"created_at": "2022-09-04T14:40:22.444987Z",
"structure_string": "Cs1 Se1\n1.0\n4.358173 0.000000 0.000000\n0.000000 4.358173 0.000000\n0.000000 0.000000 4.358173\nCs Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 Se\n",
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"elements": [
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"updated_at": "2021-11-28T01:34:54.176000Z",
"spacegroup": 221
},
{
"id": "mp-1096201",
"created_at": "2022-09-04T14:47:27.299145Z",
"structure_string": "Mg2 Cd1 Ir1\n1.0\n-5.388597 6.264214 8.405292\n5.388597 -6.264214 8.405292\n5.388597 6.264214 -8.405292\nMg Cd Ir\n2 1 1\ndirect\n0.000000 0.267390 0.267390 Mg\n0.000000 0.732610 0.732610 Mg\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Cd-Ir-Mg",
"density": 0.516846318425487,
"density_atomic": 0.00352455996458103,
"volume": 1134.8934449113526,
"volume_molar": 170.8622018214368,
"formula_full": "Mg2 Cd1 Ir1",
"formula_reduced": "Mg2CdIr",
"formula_anonymous": "ABC2",
"energy": -5.95227434,
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"band_gap": 0.0861,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:08.982000Z",
"spacegroup": 71
},
{
"id": "mp-1183384",
"created_at": "2022-09-04T14:44:04.947220Z",
"structure_string": "Ba1 Tb1\n1.0\n3.892036 0.000000 0.000000\n-1.946019 3.370340 0.000000\n0.000000 0.000000 6.479212\nBa Tb\n1 1\ndirect\n0.666647 0.333292 0.750000 Ba\n0.333355 0.666709 0.249999 Tb\n",
"nsites": 2,
"nelements": 2,
"elements": [
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"Tb"
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"chemical_system": "Ba-Tb",
"density": 5.788128281835355,
"density_atomic": 0.023531913425966257,
"volume": 84.99096370944076,
"volume_molar": 25.5913773393152,
"formula_full": "Ba1 Tb1",
"formula_reduced": "BaTb",
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"energy": -5.95052329,
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"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:23.860000Z",
"spacegroup": 187
},
{
"id": "mp-1096410",
"created_at": "2022-09-04T14:44:10.844962Z",
"structure_string": "La1 Ag2 Hg1\n1.0\n-5.916129 6.170150 8.764958\n5.916129 -6.170150 8.764958\n5.916129 6.170150 -8.764958\nLa Ag Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 La\n0.000000 0.254321 0.254321 Ag\n0.000000 0.745679 0.745679 Ag\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"Ag",
"Hg"
],
"chemical_system": "Ag-Hg-La",
"density": 0.7204109344189086,
"density_atomic": 0.0031254805698477353,
"volume": 1279.803188856448,
"volume_molar": 192.67887370975984,
"formula_full": "La1 Ag2 Hg1",
"formula_reduced": "LaAg2Hg",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:36:36.006000Z",
"spacegroup": 71
},
{
"id": "mp-978273",
"created_at": "2022-09-04T14:43:45.662995Z",
"structure_string": "Mg3 Cd1\n1.0\n4.455417 0.000000 0.000000\n0.000000 4.455417 0.000000\n0.000000 0.000000 4.455417\nMg Cd\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
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"elements": [
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"Cd"
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"chemical_system": "Cd-Mg",
"density": 3.4795283302447966,
"density_atomic": 0.04522670189910376,
"volume": 88.44332732737398,
"volume_molar": 13.315454161205018,
"formula_full": "Mg3 Cd1",
"formula_reduced": "Mg3Cd",
"formula_anonymous": "AB3",
"energy": -5.94754866,
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"band_gap": 0.0,
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"total_magnetization": 5.74e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.279000Z",
"spacegroup": 221
},
{
"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",
"nsites": 4,
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"elements": [
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"Hf",
"Hg"
],
"chemical_system": "Hf-Hg-Li",
"density": 0.8821366644480381,
"density_atomic": 0.003622401328784362,
"volume": 1104.2398776234868,
"volume_molar": 166.2471993963453,
"formula_full": "Li1 Hf1 Hg2",
"formula_reduced": "LiHfHg2",
"formula_anonymous": "ABC2",
"energy": -5.94347157,
"energy_per_atom": -1.4858678925,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:35.244000Z",
"spacegroup": 71
},
{
"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": [
"Lu",
"Cd"
],
"chemical_system": "Cd-Lu",
"density": 8.22527999253662,
"density_atomic": 0.03716995259193107,
"volume": 80.71035314291055,
"volume_molar": 16.201636913863858,
"formula_full": "Lu1 Cd2",
"formula_reduced": "LuCd2",
"formula_anonymous": "AB2",
"energy": -5.94278328,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:55.980000Z",
"spacegroup": 164
},
{
"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,
"density_atomic": 0.05733570284709312,
"volume": 34.88227928998691,
"volume_molar": 10.503299795696702,
"formula_full": "Cd1 C1",
"formula_reduced": "CdC",
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"energy": -5.93439696,
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"energy_above_hull": null,
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"is_theoretical": true,
"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,
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"formula_full": "Ce1",
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"energy": -5.93152909,
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"updated_at": "2021-11-28T01:37:42.837000Z",
"spacegroup": 225
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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": [
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"density": 0.22407848784415435,
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"volume": 1950.6071729107448,
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"formula_full": "Li2 Sc1 Tl1",
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"updated_at": "2021-11-28T01:36:13.798000Z",
"spacegroup": 71
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{
"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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"density": 0.4959487776003232,
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"volume": 1395.9810505257492,
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"formula_full": "La2 Mg1 In1",
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"updated_at": "2021-11-28T01:34:42.376000Z",
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}
]
}