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{
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"results": [
{
"id": "mp-1096251",
"created_at": "2022-09-04T14:40:31.608808Z",
"structure_string": "Zr1 Zn2 Pd1\n1.0\n-5.209125 5.614036 8.483321\n5.209125 -5.614036 8.483321\n5.209125 5.614036 -8.483321\nZr Zn Pd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.000000 0.268142 0.268142 Zn\n0.000000 0.731858 0.731858 Zn\n0.000000 0.500000 0.500000 Pd\n",
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"density": 0.5496273889405974,
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"volume": 992.3522624024795,
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{
"id": "mp-1096412",
"created_at": "2022-09-04T14:40:41.458869Z",
"structure_string": "Sc1 Zn2 Cd1\n1.0\n-5.508934 5.645449 7.975566\n5.508934 -5.645449 7.975566\n5.508934 5.645449 -7.975566\nSc Zn Cd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.250230 0.250230 Zn\n0.000000 0.749770 0.749770 Zn\n0.000000 0.500000 0.500000 Cd\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Cd-Sc-Zn",
"density": 0.48231722767821117,
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"volume": 992.1733608486267,
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"formula_full": "Sc1 Zn2 Cd1",
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"updated_at": "2021-11-28T01:35:04.262000Z",
"spacegroup": 71
},
{
"id": "mp-1096094",
"created_at": "2022-09-04T14:39:23.278107Z",
"structure_string": "Li1 Mg1 Ag2\n1.0\n-5.276264 5.764068 8.154382\n5.276264 -5.764068 8.154382\n5.276264 5.764068 -8.154382\nLi Mg Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Mg\n0.000000 0.250976 0.250976 Ag\n0.000000 0.749024 0.749024 Ag\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ag-Li-Mg",
"density": 0.41343614919256366,
"density_atomic": 0.004032304628298033,
"volume": 991.9885446969149,
"volume_molar": 149.34736621180932,
"formula_full": "Li1 Mg1 Ag2",
"formula_reduced": "LiMgAg2",
"formula_anonymous": "ABC2",
"energy": -5.36997387,
"energy_per_atom": -1.3424934675,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -5.36997387,
"band_gap": 0.7697999999999998,
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"total_magnetization": 0.0006183,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.105000Z",
"spacegroup": 71
},
{
"id": "mp-1095947",
"created_at": "2022-09-04T14:39:58.766955Z",
"structure_string": "Mg1 Tl1 Pd2\n1.0\n-5.105781 5.860546 8.286702\n5.105781 -5.860546 8.286702\n5.105781 5.860546 -8.286702\nMg Tl Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Tl\n0.000000 0.243957 0.243957 Pd\n0.000000 0.756043 0.756043 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Tl",
"Pd"
],
"chemical_system": "Mg-Pd-Tl",
"density": 0.7392063142563137,
"density_atomic": 0.0040329052309178775,
"volume": 991.8408122597048,
"volume_molar": 149.32512457351692,
"formula_full": "Mg1 Tl1 Pd2",
"formula_reduced": "MgTlPd2",
"formula_anonymous": "ABC2",
"energy": -9.63874908,
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"is_stable": null,
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"energy_uncorrected": -9.63874908,
"band_gap": 0.1529000000000002,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.416000Z",
"spacegroup": 71
},
{
"id": "mp-1097088",
"created_at": "2022-09-04T14:42:43.990086Z",
"structure_string": "In1 Ag1 Au2\n1.0\n-5.315065 5.742928 8.122863\n5.315065 -5.742928 8.122863\n5.315065 5.742928 -8.122863\nIn Ag Au\n1 1 2\ndirect\n0.000000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Ag\n0.000000 0.249548 0.249548 Au\n0.000000 0.750452 0.750452 Au\n",
"nsites": 4,
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"elements": [
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"Au"
],
"chemical_system": "Ag-Au-In",
"density": 1.0324170466738176,
"density_atomic": 0.004033192212497109,
"volume": 991.7702378790029,
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"formula_full": "In1 Ag1 Au2",
"formula_reduced": "InAgAu2",
"formula_anonymous": "ABC2",
"energy": -8.35754396,
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"formation_energy": null,
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"energy_uncorrected": -8.35754396,
"band_gap": 0.9284,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.69e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.437000Z",
"spacegroup": 71
},
{
"id": "mp-1096109",
"created_at": "2022-09-04T14:44:53.601143Z",
"structure_string": "Mn1 Cd1 Au2\n1.0\n-5.317618 5.740848 8.121836\n5.317618 -5.740848 8.121836\n5.317618 5.740848 -8.121836\nMn Cd Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Cd\n0.000000 0.232319 0.232319 Au\n0.000000 0.767681 0.767681 Au\n",
"nsites": 4,
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"elements": [
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"Cd",
"Au"
],
"chemical_system": "Au-Cd-Mn",
"density": 0.9397729985205285,
"density_atomic": 0.004033226389795222,
"volume": 991.7618336825102,
"volume_molar": 149.31323407079464,
"formula_full": "Mn1 Cd1 Au2",
"formula_reduced": "MnCdAu2",
"formula_anonymous": "ABC2",
"energy": -12.20746283,
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"is_stable": null,
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.20746283,
"band_gap": 0.4105999999999996,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0000957,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:43.070000Z",
"spacegroup": 71
},
{
"id": "mp-1096033",
"created_at": "2022-09-04T14:45:33.935124Z",
"structure_string": "Hf1 Cu1 Au2\n1.0\n-5.052882 5.884374 8.330451\n5.052882 -5.884374 8.330451\n5.052882 5.884374 -8.330451\nHf Cu Au\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Cu\n0.000000 0.244670 0.244670 Au\n0.000000 0.755330 0.755330 Au\n",
"nsites": 4,
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"elements": [
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"Cu",
"Au"
],
"chemical_system": "Au-Cu-Hf",
"density": 1.0659018321511833,
"density_atomic": 0.004037309666919462,
"volume": 990.7587799803503,
"volume_molar": 149.1622208061885,
"formula_full": "Hf1 Cu1 Au2",
"formula_reduced": "HfCuAu2",
"formula_anonymous": "ABC2",
"energy": -13.03232351,
"energy_per_atom": -3.2580808775,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.03232351,
"band_gap": 0.0001999999999999,
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"is_magnetic": true,
"total_magnetization": 1.0000462,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:00.421000Z",
"spacegroup": 71
},
{
"id": "mp-1093880",
"created_at": "2022-09-04T14:46:14.872761Z",
"structure_string": "Y1 Ti1 Pd2\n1.0\n-4.981525 5.939245 8.368249\n4.981525 -5.939245 8.368249\n4.981525 5.939245 -8.368249\nY Ti Pd\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Ti\n0.000000 0.252602 0.252602 Pd\n0.000000 0.747398 0.747398 Pd\n",
"nsites": 4,
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"elements": [
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"Ti",
"Pd"
],
"chemical_system": "Pd-Ti-Y",
"density": 0.5862034143202323,
"density_atomic": 0.004038981377542616,
"volume": 990.3487107518349,
"volume_molar": 149.10048344080187,
"formula_full": "Y1 Ti1 Pd2",
"formula_reduced": "YTiPd2",
"formula_anonymous": "ABC2",
"energy": -17.17801365,
"energy_per_atom": -4.2945034125,
"energy_above_hull": null,
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"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -17.17801365,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:22.043000Z",
"spacegroup": 71
},
{
"id": "mp-1096524",
"created_at": "2022-09-04T14:43:57.191698Z",
"structure_string": "La2 Cu1 Ge1\n1.0\n-5.359775 5.677750 8.135543\n5.359775 -5.677750 8.135543\n5.359775 5.677750 -8.135543\nLa Cu Ge\n2 1 1\ndirect\n0.000000 0.246736 0.246736 La\n0.000000 0.753264 0.753264 La\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Ge\n",
"nsites": 4,
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"elements": [
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"Cu",
"Ge"
],
"chemical_system": "Cu-Ge-La",
"density": 0.6941876255456633,
"density_atomic": 0.0040391560346613635,
"volume": 990.3058870899384,
"volume_molar": 149.09403618780692,
"formula_full": "La2 Cu1 Ge1",
"formula_reduced": "La2CuGe",
"formula_anonymous": "ABC2",
"energy": -11.79404003,
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"energy_above_hull": null,
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"energy_uncorrected": -11.79404003,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:37.733000Z",
"spacegroup": 71
},
{
"id": "mp-1096455",
"created_at": "2022-09-04T14:46:26.067152Z",
"structure_string": "Li1 Zr2 Pt1\n1.0\n-5.467634 5.519239 8.203847\n5.467634 -5.519239 8.203847\n5.467634 5.519239 -8.203847\nLi Zr Pt\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.285505 0.285505 Zr\n0.000000 0.714495 0.714495 Zr\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
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"elements": [
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"density": 0.6447016238314878,
"density_atomic": 0.004039278626333182,
"volume": 990.2758314127891,
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"formula_full": "Li1 Zr2 Pt1",
"formula_reduced": "LiZr2Pt",
"formula_anonymous": "ABC2",
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"energy_above_hull": null,
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"energy_uncorrected": -14.17945684,
"band_gap": 0.0019,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:40.260000Z",
"spacegroup": 71
},
{
"id": "mp-1093727",
"created_at": "2022-09-04T14:41:48.641620Z",
"structure_string": "Li1 Mg2 Au1\n1.0\n-5.534827 5.623704 7.949642\n5.534827 -5.623704 7.949642\n5.534827 5.623704 -7.949642\nLi Mg Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.260442 0.260442 Mg\n0.000000 0.739558 0.739558 Mg\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
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"elements": [
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"density": 0.42364943336941074,
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"volume": 989.7695011472599,
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"formula_full": "Li1 Mg2 Au1",
"formula_reduced": "LiMg2Au",
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"band_gap": 1.1865,
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"updated_at": "2021-11-28T01:35:29.365000Z",
"spacegroup": 71
},
{
"id": "mp-1096742",
"created_at": "2022-09-04T14:39:42.480967Z",
"structure_string": "Y1 Ga1 Pt2\n1.0\n-5.065438 5.878677 8.306200\n5.065438 -5.878677 8.306200\n5.065438 5.878677 -8.306200\nY Ga Pt\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Ga\n0.000000 0.251174 0.251174 Pt\n0.000000 0.748826 0.748826 Pt\n",
"nsites": 4,
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"elements": [
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"density": 0.9210892828492202,
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"volume": 989.3705485673283,
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"formula_full": "Y1 Ga1 Pt2",
"formula_reduced": "YGaPt2",
"formula_anonymous": "ABC2",
"energy": -16.71938273,
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"energy_above_hull": null,
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"energy_uncorrected": -16.71938273,
"band_gap": 0.2804999999999999,
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"total_magnetization": 6.54e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.203000Z",
"spacegroup": 71
}
]
}