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{
"id": "mp-1097212",
"created_at": "2022-09-04T14:43:15.026348Z",
"structure_string": "Y1 Cd1 Rh2\n1.0\n-4.987935 5.833657 8.245782\n4.987935 -5.833657 8.245782\n4.987935 5.833657 -8.245782\nY Cd Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 Cd\n0.000000 0.230434 0.230434 Rh\n0.000000 0.769566 0.769566 Rh\n",
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{
"id": "mp-1096089",
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"nsites": 4,
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"elements": [
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"density": 1.0009402569991912,
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"volume": 958.9843402189025,
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"formula_full": "Li1 Ta1 Pt2",
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"updated_at": "2021-11-28T01:35:48.426000Z",
"spacegroup": 71
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{
"id": "mp-1096217",
"created_at": "2022-09-04T14:44:53.620010Z",
"structure_string": "Cd1 Pd1 Au2\n1.0\n-5.205597 5.705142 8.067898\n5.205597 -5.705142 8.067898\n5.205597 5.705142 -8.067898\nCd Pd Au\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Pd\n0.000000 0.251171 0.251171 Au\n0.000000 0.748829 0.748829 Au\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Au-Cd-Pd",
"density": 1.0616589998095853,
"density_atomic": 0.004173520962927879,
"volume": 958.423363757074,
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"formula_full": "Cd1 Pd1 Au2",
"formula_reduced": "CdPdAu2",
"formula_anonymous": "ABC2",
"energy": -7.63036487,
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"energy_uncorrected": -7.63036487,
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"total_magnetization": 5.26e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:43.338000Z",
"spacegroup": 71
},
{
"id": "mp-1097099",
"created_at": "2022-09-04T14:45:03.740448Z",
"structure_string": "Mg1 Bi1 Pd2\n1.0\n-5.113296 5.751664 8.137909\n5.113296 -5.751664 8.137909\n5.113296 5.751664 -8.137909\nMg Bi Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Bi\n0.000000 0.251713 0.251713 Pd\n0.000000 0.748287 0.748287 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Bi",
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],
"chemical_system": "Bi-Mg-Pd",
"density": 0.7738179251731736,
"density_atomic": 0.0041782337160039835,
"volume": 957.3423297693255,
"volume_molar": 144.1312566344304,
"formula_full": "Mg1 Bi1 Pd2",
"formula_reduced": "MgBiPd2",
"formula_anonymous": "ABC2",
"energy": -10.15769671,
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"energy_above_hull": null,
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"energy_uncorrected": -10.15769671,
"band_gap": 0.3533000000000004,
"is_gap_direct": true,
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"updated_at": "2021-11-28T01:36:54.006000Z",
"spacegroup": 71
},
{
"id": "mp-1095940",
"created_at": "2022-09-04T14:40:33.803863Z",
"structure_string": "Zr2 Zn1 Cu1\n1.0\n-5.301729 5.641001 7.996704\n5.301729 -5.641001 7.996704\n5.301729 5.641001 -7.996704\nZr Zn Cu\n2 1 1\ndirect\n0.000000 0.240529 0.240529 Zr\n0.000000 0.759471 0.759471 Zr\n0.000000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Cu-Zn-Zr",
"density": 0.540539176874299,
"density_atomic": 0.004181338022506519,
"volume": 956.6315802428679,
"volume_molar": 144.02425079209462,
"formula_full": "Zr2 Zn1 Cu1",
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"formula_anonymous": "ABC2",
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"energy_uncorrected": -10.52229199,
"band_gap": 0.0,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:35:02.898000Z",
"spacegroup": 71
},
{
"id": "mp-1097500",
"created_at": "2022-09-04T14:45:13.275230Z",
"structure_string": "Li1 Ga1 Hg2\n1.0\n-5.539625 5.540474 7.790277\n5.539625 -5.540474 7.790277\n5.539625 5.540474 -7.790277\nLi Ga Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Ga\n0.756542 0.000000 0.756542 Hg\n0.243458 0.000000 0.243458 Hg\n",
"nsites": 4,
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"elements": [
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"Ga",
"Hg"
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"chemical_system": "Ga-Hg-Li",
"density": 0.8296502633732908,
"density_atomic": 0.004182344588888117,
"volume": 956.4013473752066,
"volume_molar": 143.98958842367875,
"formula_full": "Li1 Ga1 Hg2",
"formula_reduced": "LiGaHg2",
"formula_anonymous": "ABC2",
"energy": -2.84140551,
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"energy_above_hull": null,
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"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -2.84140551,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:59.652000Z",
"spacegroup": 71
},
{
"id": "mp-1097586",
"created_at": "2022-09-04T14:47:26.439497Z",
"structure_string": "Ag1 Sn1 Au2\n1.0\n-5.240135 5.683113 8.026233\n5.240135 -5.683113 8.026233\n5.240135 5.683113 -8.026233\nAg Sn Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Sn\n0.000000 0.253103 0.253103 Au\n0.000000 0.746897 0.746897 Au\n",
"nsites": 4,
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"elements": [
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"Sn",
"Au"
],
"chemical_system": "Ag-Au-Sn",
"density": 1.0777010283967718,
"density_atomic": 0.004183689737798116,
"volume": 956.0938431598915,
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"formula_full": "Ag1 Sn1 Au2",
"formula_reduced": "AgSnAu2",
"formula_anonymous": "ABC2",
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"energy_above_hull": null,
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"energy_uncorrected": -8.70243365,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:13.464000Z",
"spacegroup": 71
},
{
"id": "mp-1096095",
"created_at": "2022-09-04T14:40:55.172413Z",
"structure_string": "Hf2 Zn1 Mo1\n1.0\n-5.235080 5.812039 7.854799\n5.235080 -5.812039 7.854799\n5.235080 5.812039 -7.854799\nHf Zn Mo\n2 1 1\ndirect\n0.000000 0.280717 0.280717 Hf\n0.000000 0.719283 0.719283 Hf\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Mo\n",
"nsites": 4,
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"elements": [
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"Zn",
"Mo"
],
"chemical_system": "Hf-Mo-Zn",
"density": 0.9003423840703222,
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"volume": 955.9758255082713,
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"formula_full": "Hf2 Zn1 Mo1",
"formula_reduced": "Hf2ZnMo",
"formula_anonymous": "ABC2",
"energy": -18.37038709,
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"energy_above_hull": null,
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"energy_uncorrected": -18.37038709,
"band_gap": 0.3850000000000002,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.775000Z",
"spacegroup": 71
},
{
"id": "mp-1096193",
"created_at": "2022-09-04T14:41:22.199812Z",
"structure_string": "Zr2 Cr1 Tc1\n1.0\n-5.214872 5.701060 8.032812\n5.214872 -5.701060 8.032812\n5.214872 5.701060 -8.032812\nZr Cr Tc\n2 1 1\ndirect\n0.000000 0.284536 0.284536 Zr\n0.000000 0.715464 0.715464 Zr\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Tc\n",
"nsites": 4,
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"elements": [
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"Cr",
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],
"chemical_system": "Cr-Tc-Zr",
"density": 0.5778842635803584,
"density_atomic": 0.004187290891277672,
"volume": 955.2715834317105,
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"formula_full": "Zr2 Cr1 Tc1",
"formula_reduced": "Zr2CrTc",
"formula_anonymous": "ABC2",
"energy": -22.8779706,
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"updated_at": "2021-11-28T01:35:17.962000Z",
"spacegroup": 71
},
{
"id": "mp-1096172",
"created_at": "2022-09-04T14:41:08.067496Z",
"structure_string": "Li2 Ga1 Sn1\n1.0\n-5.502387 5.539683 7.834469\n5.502387 -5.539683 7.834469\n5.502387 5.539683 -7.834469\nLi Ga Sn\n2 1 1\ndirect\n0.000000 0.250174 0.250174 Li\n0.000000 0.749826 0.749826 Li\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Sn\n",
"nsites": 4,
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"volume": 955.2248318659479,
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"formula_full": "Li2 Ga1 Sn1",
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"updated_at": "2021-11-28T01:35:10.891000Z",
"spacegroup": 71
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{
"id": "mp-1096721",
"created_at": "2022-09-04T14:47:22.227477Z",
"structure_string": "Y1 Zr1 Tc2\n1.0\n-4.768851 5.943384 8.421128\n4.768851 -5.943384 8.421128\n4.768851 5.943384 -8.421128\nY Zr Tc\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 Zr\n0.000000 0.260740 0.260740 Tc\n0.000000 0.739260 0.739260 Tc\n",
"nsites": 4,
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"density": 0.6541978223717849,
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"volume": 954.7239209311308,
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"formula_full": "Y1 Zr1 Tc2",
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"formula_anonymous": "ABC2",
"energy": -22.34844764,
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"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:38:05.401000Z",
"spacegroup": 71
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{
"id": "mp-1093969",
"created_at": "2022-09-04T14:43:38.841307Z",
"structure_string": "Li1 Sc1 Ga2\n1.0\n-5.399129 5.564461 7.942089\n5.399129 -5.564461 7.942089\n5.399129 5.564461 -7.942089\nLi Sc Ga\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Sc\n0.000000 0.245805 0.245805 Ga\n0.000000 0.754195 0.754195 Ga\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.3329047016193808,
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"volume": 954.4244312183918,
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"formula_full": "Li1 Sc1 Ga2",
"formula_reduced": "LiScGa2",
"formula_anonymous": "ABC2",
"energy": -7.98932102,
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"energy_uncorrected": -7.98932102,
"band_gap": 0.1240999999999998,
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"total_magnetization": 4.0009525,
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"updated_at": "2021-11-28T01:36:19.333000Z",
"spacegroup": 71
}
]
}