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"results": [
{
"id": "mp-983411",
"created_at": "2022-09-04T14:43:54.748594Z",
"structure_string": "Lu1 Mg16 Al12\n1.0\n-5.264158 5.264158 5.264158\n5.264158 -5.264158 5.264158\n5.264158 5.264158 -5.264158\nLu Mg Al\n1 16 12\ndirect\n0.000000 0.000000 0.000000 Lu\n0.000000 0.354922 0.000000 Mg\n0.354922 0.000000 0.000000 Mg\n0.603214 0.318761 0.000000 Mg\n0.318761 0.603214 0.000000 Mg\n0.396786 0.396786 0.715547 Mg\n0.284453 0.681239 0.681239 Mg\n0.681239 0.284453 0.681239 Mg\n0.645078 0.645078 0.645078 Mg\n0.000000 0.318761 0.603214 Mg\n0.318761 0.000000 0.603214 Mg\n0.396786 0.715547 0.396786 Mg\n0.715547 0.396786 0.396786 Mg\n0.000000 0.000000 0.354922 Mg\n0.603214 0.000000 0.318761 Mg\n0.000000 0.603214 0.318761 Mg\n0.681239 0.681239 0.284453 Mg\n0.813981 0.633348 0.000000 Al\n0.633348 0.813981 0.000000 Al\n0.186019 0.186019 0.819367 Al\n0.000000 0.633348 0.813981 Al\n0.633348 0.000000 0.813981 Al\n0.813981 0.000000 0.633348 Al\n0.000000 0.813981 0.633348 Al\n0.366652 0.180633 0.366652 Al\n0.180633 0.366652 0.366652 Al\n0.186019 0.819367 0.186019 Al\n0.819367 0.186019 0.186019 Al\n0.366652 0.366652 0.180633 Al\n",
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"volume": 583.5078981365577,
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"formula_full": "Lu1 Mg16 Al12",
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{
"id": "mp-983412",
"created_at": "2022-09-04T14:47:17.152460Z",
"structure_string": "Ga3 Au1\n1.0\n0.000000 3.336043 3.336043\n3.336043 0.000000 3.336043\n3.336043 3.336043 0.000000\nGa Au\n3 1\ndirect\n0.250000 0.250000 0.250000 Ga\n0.750000 0.750000 0.750000 Ga\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Au-Ga",
"density": 9.08228672948852,
"density_atomic": 0.05386852401155859,
"volume": 74.25486540417775,
"volume_molar": 11.179331289470317,
"formula_full": "Ga3 Au1",
"formula_reduced": "Ga3Au",
"formula_anonymous": "AB3",
"energy": -12.49019283,
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"updated_at": "2021-11-28T01:38:00.131000Z",
"spacegroup": 225
},
{
"id": "mp-983425",
"created_at": "2022-09-04T14:44:24.386532Z",
"structure_string": "Li2 Pm1 Ge1\n1.0\n0.000000 3.294532 3.294532\n3.294532 0.000000 3.294532\n3.294532 3.294532 0.000000\nLi Pm Ge\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Pm",
"Ge"
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"chemical_system": "Ge-Li-Pm",
"density": 5.37563999610159,
"density_atomic": 0.05593051328650754,
"volume": 71.51731255369945,
"volume_molar": 10.767183074382329,
"formula_full": "Li2 Pm1 Ge1",
"formula_reduced": "Li2PmGe",
"formula_anonymous": "ABC2",
"energy": -14.69597946,
"energy_per_atom": -3.673994865,
"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:43.287000Z",
"spacegroup": 225
},
{
"id": "mp-983426",
"created_at": "2022-09-04T14:39:35.241039Z",
"structure_string": "Pm1 Dy1 Cu2\n1.0\n0.000000 3.508216 3.508216\n3.508216 0.000000 3.508216\n3.508216 3.508216 0.000000\nPm Dy Cu\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Dy\n0.750000 0.750000 0.750000 Cu\n0.250000 0.250000 0.250000 Cu\n",
"nsites": 4,
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"elements": [
"Pm",
"Dy",
"Cu"
],
"chemical_system": "Cu-Dy-Pm",
"density": 8.356835522726627,
"density_atomic": 0.04632026345944659,
"volume": 86.35529466497965,
"volume_molar": 13.001093496094613,
"formula_full": "Pm1 Dy1 Cu2",
"formula_reduced": "PmDyCu2",
"formula_anonymous": "ABC2",
"energy": -18.35315175,
"energy_per_atom": -4.5882879375,
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"total_magnetization": 1.45e-05,
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"updated_at": "2021-11-28T01:34:26.096000Z",
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},
{
"id": "mp-983427",
"created_at": "2022-09-04T14:46:13.614213Z",
"structure_string": "Pm1 Dy1 Hg2\n1.0\n0.000000 3.775926 3.775926\n3.775926 0.000000 3.775926\n3.775926 3.775926 0.000000\nPm Dy Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Dy\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
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"elements": [
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"Hg"
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"chemical_system": "Dy-Hg-Pm",
"density": 10.929463772608528,
"density_atomic": 0.03715006451019628,
"volume": 107.67141464591946,
"volume_molar": 16.210310370651314,
"formula_full": "Pm1 Dy1 Hg2",
"formula_reduced": "PmDyHg2",
"formula_anonymous": "ABC2",
"energy": -11.83940418,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:24.475000Z",
"spacegroup": 225
},
{
"id": "mp-983428",
"created_at": "2022-09-04T14:42:15.188801Z",
"structure_string": "Pm1 Dy1 In2\n1.0\n0.000000 3.808350 3.808350\n3.808350 0.000000 3.808350\n3.808350 3.808350 0.000000\nPm Dy In\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Pm\n0.000000 0.000000 0.000000 Dy\n0.750000 0.750000 0.750000 In\n0.250000 0.250000 0.250000 In\n",
"nsites": 4,
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"elements": [
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"In"
],
"chemical_system": "Dy-In-Pm",
"density": 8.074075358677469,
"density_atomic": 0.036209241855773094,
"volume": 110.46903483736574,
"volume_molar": 16.631501935299006,
"formula_full": "Pm1 Dy1 In2",
"formula_reduced": "PmDyIn2",
"formula_anonymous": "ABC2",
"energy": -16.75341345,
"energy_per_atom": -4.1883533625,
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"is_stable": null,
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"energy_uncorrected": -16.75341345,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:45.778000Z",
"spacegroup": 225
},
{
"id": "mp-983429",
"created_at": "2022-09-04T14:46:15.956993Z",
"structure_string": "Pm1 Dy1 Ru2\n1.0\n0.000000 3.447692 3.447692\n3.447692 0.000000 3.447692\n3.447692 3.447692 0.000000\nPm Dy Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Dy\n0.750000 0.750000 0.750000 Ru\n0.250000 0.250000 0.250000 Ru\n",
"nsites": 4,
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"elements": [
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"Dy",
"Ru"
],
"chemical_system": "Dy-Pm-Ru",
"density": 10.325170346124313,
"density_atomic": 0.048802785665824105,
"volume": 81.962534421496,
"volume_molar": 12.339747983314851,
"formula_full": "Pm1 Dy1 Ru2",
"formula_reduced": "PmDyRu2",
"formula_anonymous": "ABC2",
"energy": -28.78323189,
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"updated_at": "2021-11-28T01:37:29.894000Z",
"spacegroup": 225
},
{
"id": "mp-983430",
"created_at": "2022-09-04T14:39:33.762759Z",
"structure_string": "Hf1 Zn1 Pt2\n1.0\n0.000000 3.218524 3.218524\n3.218524 0.000000 3.218524\n3.218524 3.218524 0.000000\nHf Zn Pt\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Pt\n0.750000 0.750000 0.750000 Pt\n",
"nsites": 4,
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"elements": [
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"Zn",
"Pt"
],
"chemical_system": "Hf-Pt-Zn",
"density": 15.790067876772099,
"density_atomic": 0.059987358684010984,
"volume": 66.68071553325716,
"volume_molar": 10.039016372969826,
"formula_full": "Hf1 Zn1 Pt2",
"formula_reduced": "HfZnPt2",
"formula_anonymous": "ABC2",
"energy": -26.8536285,
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"updated_at": "2021-11-28T01:34:28.956000Z",
"spacegroup": 225
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{
"id": "mp-983444",
"created_at": "2022-09-04T14:42:53.910272Z",
"structure_string": "Li1 Pm1 Zn2\n1.0\n0.000000 3.440577 3.440577\n3.440577 0.000000 3.440577\n3.440577 3.440577 0.000000\nLi Pm Zn\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Pm\n0.750000 0.750000 0.750000 Zn\n0.250000 0.250000 0.250000 Zn\n",
"nsites": 4,
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"elements": [
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"density": 5.7642352046185295,
"density_atomic": 0.04910617987467245,
"volume": 81.45614279523878,
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"formula_full": "Li1 Pm1 Zn2",
"formula_reduced": "LiPmZn2",
"formula_anonymous": "ABC2",
"energy": -10.25269146,
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"updated_at": "2021-11-28T01:36:04.126000Z",
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{
"id": "mp-983445",
"created_at": "2022-09-04T14:41:01.651458Z",
"structure_string": "Na6 Pt2\n1.0\n3.190330 -5.525814 0.000000\n3.190330 5.525814 0.000000\n0.000000 0.000000 5.158950\nNa Pt\n6 2\ndirect\n0.178226 0.356453 0.250000 Na\n0.643547 0.821774 0.250000 Na\n0.178226 0.821774 0.250000 Na\n0.821774 0.643547 0.750000 Na\n0.356453 0.178226 0.750000 Na\n0.821774 0.178226 0.750000 Na\n0.333333 0.666667 0.750000 Pt\n0.666667 0.333333 0.250000 Pt\n",
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"volume": 181.89601498598327,
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"updated_at": "2021-11-28T01:35:23.096000Z",
"spacegroup": 194
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{
"id": "mp-983446",
"created_at": "2022-09-04T14:48:24.167062Z",
"structure_string": "Rb3 Pm1\n1.0\n0.000000 5.134774 5.134774\n5.134774 0.000000 5.134774\n5.134774 5.134774 0.000000\nRb Pm\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 Pm\n",
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"formula_full": "Rb3 Pm1",
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"energy": -5.19711711,
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"updated_at": "2021-11-28T01:39:30.795000Z",
"spacegroup": 225
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{
"id": "mp-983458",
"created_at": "2022-09-04T14:40:56.495082Z",
"structure_string": "Tl6 Cl2\n1.0\n3.430893 -5.942481 0.000000\n3.430893 5.942481 0.000000\n0.000000 0.000000 6.163692\nTl Cl\n6 2\ndirect\n0.168247 0.336495 0.250000 Tl\n0.663505 0.831753 0.250000 Tl\n0.168247 0.831753 0.250000 Tl\n0.831753 0.663505 0.750000 Tl\n0.336495 0.168247 0.750000 Tl\n0.831753 0.168247 0.750000 Tl\n0.333333 0.666667 0.750000 Cl\n0.666667 0.333333 0.250000 Cl\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Cl-Tl",
"density": 8.570616824359064,
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"volume": 251.33090796894805,
"volume_molar": 18.919376314095135,
"formula_full": "Tl6 Cl2",
"formula_reduced": "Tl3Cl",
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"energy": -21.645337100000003,
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"updated_at": "2021-11-28T01:35:00.743000Z",
"spacegroup": 194
}
]
}