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{
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"results": [
{
"id": "mp-1095737",
"created_at": "2022-09-04T14:44:10.097372Z",
"structure_string": "Li1 La1 Zn2\n1.0\n-5.817550 5.894106 8.302496\n5.817550 -5.894106 8.302496\n5.817550 5.894106 -8.302496\nLi La Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 La\n0.000000 0.238160 0.238160 Zn\n0.000000 0.761840 0.761840 Zn\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "La-Li-Zn",
"density": 0.4034370262741985,
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"volume": 1138.7456550974612,
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"formula_full": "Li1 La1 Zn2",
"formula_reduced": "LiLaZn2",
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{
"id": "mp-1093851",
"created_at": "2022-09-04T14:39:12.659738Z",
"structure_string": "Zr1 Be2 Pt1\n1.0\n-4.597053 6.902608 8.976811\n4.597053 -6.902608 8.976811\n4.597053 6.902608 -8.976811\nZr Be Pt\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.000000 0.276321 0.276321 Be\n0.000000 0.723679 0.723679 Be\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Be-Pt-Zr",
"density": 0.44352943054054406,
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"volume": 1139.3962719381157,
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"formula_full": "Zr1 Be2 Pt1",
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"updated_at": "2021-11-28T01:34:32.449000Z",
"spacegroup": 71
},
{
"id": "mp-1095751",
"created_at": "2022-09-04T14:44:09.895372Z",
"structure_string": "Li1 Sc2 Al1\n1.0\n-5.826797 5.934983 8.243417\n5.826797 -5.934983 8.243417\n5.826797 5.934983 -8.243417\nLi Sc Al\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.265133 0.000000 0.265133 Sc\n0.734867 0.000000 0.734867 Sc\n0.500000 0.000000 0.500000 Al\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Sc",
"Al"
],
"chemical_system": "Al-Li-Sc",
"density": 0.1803323500798496,
"density_atomic": 0.0035078689738020923,
"volume": 1140.293445927799,
"volume_molar": 171.67519097706636,
"formula_full": "Li1 Sc2 Al1",
"formula_reduced": "LiSc2Al",
"formula_anonymous": "ABC2",
"energy": -9.14284575,
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"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -9.14284575,
"band_gap": 0.2319,
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"is_magnetic": true,
"total_magnetization": 4.0026527,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:28.740000Z",
"spacegroup": 71
},
{
"id": "mp-1096651",
"created_at": "2022-09-04T14:45:42.729894Z",
"structure_string": "Mg2 Cd1 Ag1\n1.0\n-5.643985 5.981177 8.451988\n5.643985 -5.981177 8.451988\n5.643985 5.981177 -8.451988\nMg Cd Ag\n2 1 1\ndirect\n0.000000 0.236818 0.236818 Mg\n0.000000 0.763182 0.763182 Mg\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Cd",
"Ag"
],
"chemical_system": "Ag-Cd-Mg",
"density": 0.39122904357131755,
"density_atomic": 0.0035048434382650446,
"volume": 1141.2777975555068,
"volume_molar": 171.82338857855115,
"formula_full": "Mg2 Cd1 Ag1",
"formula_reduced": "Mg2CdAg",
"formula_anonymous": "ABC2",
"energy": -3.2828452,
"energy_per_atom": -0.8207113,
"energy_above_hull": null,
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"energy_uncorrected": -3.2828452,
"band_gap": 0.0070999999999998,
"is_gap_direct": false,
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"total_magnetization": 0.0014023,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:15.483000Z",
"spacegroup": 71
},
{
"id": "mp-1096399",
"created_at": "2022-09-04T14:47:00.444521Z",
"structure_string": "Ca2 Pt1 Au1\n1.0\n-5.436189 6.095688 8.615749\n5.436189 -6.095688 8.615749\n5.436189 6.095688 -8.615749\nCa Pt Au\n2 1 1\ndirect\n0.000000 0.234774 0.234774 Ca\n0.000000 0.765226 0.765226 Ca\n0.000000 0.000000 0.000000 Pt\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Pt",
"Au"
],
"chemical_system": "Au-Ca-Pt",
"density": 0.6866110914182342,
"density_atomic": 0.003502593070726008,
"volume": 1142.0110527343934,
"volume_molar": 171.9337827260575,
"formula_full": "Ca2 Pt1 Au1",
"formula_reduced": "Ca2PtAu",
"formula_anonymous": "ABC2",
"energy": -10.77131091,
"energy_per_atom": -2.6928277275,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -10.77131091,
"band_gap": 0.1116000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.45e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:50.274000Z",
"spacegroup": 71
},
{
"id": "mp-1093571",
"created_at": "2022-09-04T14:47:56.948119Z",
"structure_string": "Ca1 Ag1 Au2\n1.0\n-5.370069 6.135511 8.666861\n5.370069 -6.135511 8.666861\n5.370069 6.135511 -8.666861\nCa Ag Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Ag\n0.000000 0.249483 0.249483 Au\n0.000000 0.750517 0.750517 Au\n",
"nsites": 4,
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"elements": [
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"Ag",
"Au"
],
"chemical_system": "Ag-Au-Ca",
"density": 0.7877696796389828,
"density_atomic": 0.003501930829394722,
"volume": 1142.2270155722535,
"volume_molar": 171.9662966912706,
"formula_full": "Ca1 Ag1 Au2",
"formula_reduced": "CaAgAu2",
"formula_anonymous": "ABC2",
"energy": -8.45292164,
"energy_per_atom": -2.11323041,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.45292164,
"band_gap": 0.3450000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.16e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:19.962000Z",
"spacegroup": 71
},
{
"id": "mp-1093815",
"created_at": "2022-09-04T14:39:06.474916Z",
"structure_string": "Li2 Sc1 In1\n1.0\n-5.830803 6.195357 7.909795\n5.830803 -6.195357 7.909795\n5.830803 6.195357 -7.909795\nLi Sc In\n2 1 1\ndirect\n0.000000 0.254295 0.254295 Li\n0.000000 0.745705 0.745705 Li\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Sc",
"In"
],
"chemical_system": "In-Li-Sc",
"density": 0.25230086860452267,
"density_atomic": 0.00349977453144646,
"volume": 1142.9307699850015,
"volume_molar": 172.07224939462154,
"formula_full": "Li2 Sc1 In1",
"formula_reduced": "Li2ScIn",
"formula_anonymous": "ABC2",
"energy": -6.30957886,
"energy_per_atom": -1.577394715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -6.30957886,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 2.0000114,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.920000Z",
"spacegroup": 71
},
{
"id": "mp-1097069",
"created_at": "2022-09-04T14:43:11.214811Z",
"structure_string": "Sc2 Tl1 Os1\n1.0\n-5.258155 6.260751 8.694462\n5.258155 -6.260751 8.694462\n5.258155 6.260751 -8.694462\nSc Tl Os\n2 1 1\ndirect\n0.000000 0.213417 0.213417 Sc\n0.000000 0.786583 0.786583 Sc\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Os\n",
"nsites": 4,
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"elements": [
"Sc",
"Tl",
"Os"
],
"chemical_system": "Os-Sc-Tl",
"density": 0.7027532749418178,
"density_atomic": 0.0034937954158291485,
"volume": 1144.8867274475826,
"volume_molar": 172.36672567362746,
"formula_full": "Sc2 Tl1 Os1",
"formula_reduced": "Sc2TlOs",
"formula_anonymous": "ABC2",
"energy": -16.90164397,
"energy_per_atom": -4.2254109925,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -16.90164397,
"band_gap": 0.0976000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.7386064,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.901000Z",
"spacegroup": 71
},
{
"id": "mp-1097199",
"created_at": "2022-09-04T14:44:14.094660Z",
"structure_string": "Mg2 Cd1 In1\n1.0\n-5.688571 5.973437 8.430717\n5.688571 -5.973437 8.430717\n5.688571 5.973437 -8.430717\nMg Cd In\n2 1 1\ndirect\n0.000000 0.249630 0.249630 Mg\n0.000000 0.750370 0.750370 Mg\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Cd",
"In"
],
"chemical_system": "Cd-In-Mg",
"density": 0.39971716078174396,
"density_atomic": 0.003490663767265795,
"volume": 1145.9138624322914,
"volume_molar": 172.52136446006338,
"formula_full": "Mg2 Cd1 In1",
"formula_reduced": "Mg2CdIn",
"formula_anonymous": "ABC2",
"energy": -2.43586294,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.928000Z",
"spacegroup": 71
},
{
"id": "mp-1093644",
"created_at": "2022-09-04T14:48:19.660104Z",
"structure_string": "Sc2 Cd1 Ru1\n1.0\n-5.337285 6.156794 8.720707\n5.337285 -6.156794 8.720707\n5.337285 6.156794 -8.720707\nSc Cd Ru\n2 1 1\ndirect\n0.000000 0.202694 0.202694 Sc\n0.000000 0.797306 0.797306 Sc\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
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"elements": [
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"Ru"
],
"chemical_system": "Cd-Ru-Sc",
"density": 0.43950892508285416,
"density_atomic": 0.0034895810364188634,
"volume": 1146.2694112141746,
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"formula_full": "Sc2 Cd1 Ru1",
"formula_reduced": "Sc2CdRu",
"formula_anonymous": "ABC2",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:39:32.587000Z",
"spacegroup": 71
},
{
"id": "mp-1093868",
"created_at": "2022-09-04T14:40:04.717153Z",
"structure_string": "Y1 Pb1 Au2\n1.0\n-5.531006 6.052441 8.567188\n5.531006 -6.052441 8.567188\n5.531006 6.052441 -8.567188\nY Pb Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 Pb\n0.000000 0.245673 0.245673 Au\n0.000000 0.754327 0.754327 Au\n",
"nsites": 4,
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"elements": [
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"density": 0.9988257827601303,
"density_atomic": 0.0034867997693935325,
"volume": 1147.1837399759063,
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"formula_full": "Y1 Pb1 Au2",
"formula_reduced": "YPbAu2",
"formula_anonymous": "ABC2",
"energy": -11.8540122,
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"energy_uncorrected": -11.8540122,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:47.649000Z",
"spacegroup": 71
},
{
"id": "mp-1096341",
"created_at": "2022-09-04T14:40:40.627360Z",
"structure_string": "Cd1 In2 Ga1\n1.0\n-5.819324 5.899212 8.355359\n5.819324 -5.899212 8.355359\n5.819324 5.899212 -8.355359\nCd In Ga\n1 2 1\ndirect\n0.000000 0.500000 0.500000 Cd\n0.000000 0.234774 0.234774 In\n0.000000 0.765226 0.765226 In\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
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"elements": [
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"In",
"Ga"
],
"chemical_system": "Cd-Ga-In",
"density": 0.5959531947009086,
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"volume": 1147.3387130629299,
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"formula_full": "Cd1 In2 Ga1",
"formula_reduced": "CdIn2Ga",
"formula_anonymous": "ABC2",
"energy": -5.12743557,
"energy_per_atom": -1.2818588925,
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"energy_uncorrected": -5.12743557,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.789000Z",
"spacegroup": 71
}
]
}