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{
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"results": [
{
"id": "mp-1093739",
"created_at": "2022-09-04T14:43:07.588531Z",
"structure_string": "Zr1 Ag1 Hg2\n1.0\n-5.749821 6.047442 8.409362\n5.749821 -6.047442 8.409362\n5.749821 6.047442 -8.409362\nZr Ag Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.000000 0.500000 0.500000 Ag\n0.000000 0.259519 0.259519 Hg\n0.000000 0.740481 0.740481 Hg\n",
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"density": 0.8522131910734714,
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"volume": 1169.6315536237623,
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{
"id": "mp-1097324",
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"structure_string": "Hf2 Zn1 Hg1\n1.0\n-5.669606 6.111512 8.438945\n5.669606 -6.111512 8.438945\n5.669606 6.111512 -8.438945\nHf Zn Hg\n2 1 1\ndirect\n0.000000 0.244812 0.244812 Hf\n0.000000 0.755188 0.755188 Hf\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Hf-Hg-Zn",
"density": 0.8844490276063907,
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"volume": 1169.6332234894828,
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"updated_at": "2021-11-28T01:36:42.923000Z",
"spacegroup": 71
},
{
"id": "mp-1093947",
"created_at": "2022-09-04T14:45:29.305358Z",
"structure_string": "Sr2 Cu1 Pd1\n1.0\n-5.743624 6.008000 8.487450\n5.743624 -6.008000 8.487450\n5.743624 6.008000 -8.487450\nSr Cu Pd\n2 1 1\ndirect\n0.000000 0.262651 0.262651 Sr\n0.000000 0.737349 0.737349 Sr\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
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"Cu",
"Pd"
],
"chemical_system": "Cu-Pd-Sr",
"density": 0.48929895393403233,
"density_atomic": 0.0034143406259796055,
"volume": 1171.5292755398016,
"volume_molar": 176.37785504403774,
"formula_full": "Sr2 Cu1 Pd1",
"formula_reduced": "Sr2CuPd",
"formula_anonymous": "ABC2",
"energy": -8.46696113,
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"is_stable": null,
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"band_gap": 0.1976,
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"total_magnetization": 0.0006753,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:58.556000Z",
"spacegroup": 71
},
{
"id": "mp-1093689",
"created_at": "2022-09-04T14:41:57.928376Z",
"structure_string": "Y1 Tl1 Au2\n1.0\n-5.733112 6.010314 8.501231\n5.733112 -6.010314 8.501231\n5.733112 6.010314 -8.501231\nY Tl Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 Tl\n0.000000 0.246265 0.246265 Au\n0.000000 0.753735 0.753735 Au\n",
"nsites": 4,
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"elements": [
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"Tl",
"Au"
],
"chemical_system": "Au-Tl-Y",
"density": 0.9739057664161073,
"density_atomic": 0.0034137412111175866,
"volume": 1171.7349830072458,
"volume_molar": 176.40882502714607,
"formula_full": "Y1 Tl1 Au2",
"formula_reduced": "YTlAu2",
"formula_anonymous": "ABC2",
"energy": -11.14051325,
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"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.00039,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.193000Z",
"spacegroup": 71
},
{
"id": "mp-1093853",
"created_at": "2022-09-04T14:41:04.397309Z",
"structure_string": "Sc2 Zn1 Cd1\n1.0\n-5.759831 5.976439 8.520642\n5.759831 -5.976439 8.520642\n5.759831 5.976439 -8.520642\nSc Zn Cd\n2 1 1\ndirect\n0.000000 0.241030 0.241030 Sc\n0.000000 0.758970 0.758970 Sc\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Cd\n",
"nsites": 4,
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"elements": [
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"Cd"
],
"chemical_system": "Cd-Sc-Zn",
"density": 0.37893485337545485,
"density_atomic": 0.0034093803158574978,
"volume": 1173.2337344107516,
"volume_molar": 176.63446732505005,
"formula_full": "Sc2 Zn1 Cd1",
"formula_reduced": "Sc2ZnCd",
"formula_anonymous": "ABC2",
"energy": -6.79094162,
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"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -6.79094162,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 3.9991095,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.745000Z",
"spacegroup": 71
},
{
"id": "mp-1097378",
"created_at": "2022-09-04T14:47:09.201590Z",
"structure_string": "Hf1 Sc1 Hg2\n1.0\n-5.829692 5.970137 8.443256\n5.829692 -5.970137 8.443256\n5.829692 5.970137 -8.443256\nHf Sc Hg\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Sc\n0.000000 0.250972 0.250972 Hg\n0.000000 0.749028 0.749028 Hg\n",
"nsites": 4,
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"elements": [
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"Sc",
"Hg"
],
"chemical_system": "Hf-Hg-Sc",
"density": 0.8824075957613926,
"density_atomic": 0.0034029857866061026,
"volume": 1175.4383505637022,
"volume_molar": 176.96638004492098,
"formula_full": "Hf1 Sc1 Hg2",
"formula_reduced": "HfScHg2",
"formula_anonymous": "ABC2",
"energy": -7.96946567,
"energy_per_atom": -1.9923664175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.96946567,
"band_gap": 0.1622999999999996,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0012557,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.487000Z",
"spacegroup": 71
},
{
"id": "mp-1096267",
"created_at": "2022-09-04T14:42:51.534931Z",
"structure_string": "Ca1 Pb1 Au2\n1.0\n-5.546765 5.797597 9.138252\n5.546765 -5.797597 9.138252\n5.546765 5.797597 -9.138252\nCa Pb Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Pb\n0.000000 0.245413 0.245413 Au\n0.000000 0.754587 0.754587 Au\n",
"nsites": 4,
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"elements": [
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"Pb",
"Au"
],
"chemical_system": "Au-Ca-Pb",
"density": 0.9058144478480741,
"density_atomic": 0.003402899161285556,
"volume": 1175.4682729090537,
"volume_molar": 176.97088495931038,
"formula_full": "Ca1 Pb1 Au2",
"formula_reduced": "CaPbAu2",
"formula_anonymous": "ABC2",
"energy": -9.04968026,
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"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -9.04968026,
"band_gap": 0.7689000000000004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9942516,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.982000Z",
"spacegroup": 71
},
{
"id": "mp-1093792",
"created_at": "2022-09-04T14:42:11.442098Z",
"structure_string": "V1 Re2 Mo1\n1.0\n-4.334621 6.928259 9.789321\n4.334621 -6.928259 9.789321\n4.334621 6.928259 -9.789321\nV Re Mo\n1 2 1\ndirect\n0.000000 0.000000 0.000000 V\n0.000000 0.244558 0.244558 Re\n0.000000 0.755442 0.755442 Re\n0.000000 0.500000 0.500000 Mo\n",
"nsites": 4,
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"elements": [
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"Re",
"Mo"
],
"chemical_system": "Mo-Re-V",
"density": 0.7332901484702075,
"density_atomic": 0.0034015133915352284,
"volume": 1175.9471563316858,
"volume_molar": 177.04298254377844,
"formula_full": "V1 Re2 Mo1",
"formula_reduced": "VRe2Mo",
"formula_anonymous": "ABC2",
"energy": -26.64641739,
"energy_per_atom": -6.6616043475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -26.64641739,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 0.2496419,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.460000Z",
"spacegroup": 71
},
{
"id": "mp-1096155",
"created_at": "2022-09-04T14:45:02.548384Z",
"structure_string": "Li1 Ag1 Pb2\n1.0\n-5.547650 6.124165 8.655279\n5.547650 -6.124165 8.655279\n5.547650 6.124165 -8.655279\nLi Ag Pb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Ag\n0.000000 0.257688 0.257688 Pb\n0.000000 0.742312 0.742312 Pb\n",
"nsites": 4,
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"elements": [
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"Ag",
"Pb"
],
"chemical_system": "Ag-Li-Pb",
"density": 0.7471012844052582,
"density_atomic": 0.003400658263854875,
"volume": 1176.2428593650368,
"volume_molar": 177.0875016760284,
"formula_full": "Li1 Ag1 Pb2",
"formula_reduced": "LiAgPb2",
"formula_anonymous": "ABC2",
"energy": -7.2305293,
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"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -7.2305293,
"band_gap": 0.1432000000000002,
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"updated_at": "2021-11-28T01:36:47.009000Z",
"spacegroup": 71
},
{
"id": "mp-1096163",
"created_at": "2022-09-04T14:39:28.703027Z",
"structure_string": "Mg1 Zr1 Hg2\n1.0\n-5.863318 5.945759 8.436935\n5.863318 -5.945759 8.436935\n5.863318 5.945759 -8.436935\nMg Zr Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Zr\n0.000000 0.247886 0.247886 Hg\n0.000000 0.752114 0.752114 Hg\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Hg-Mg-Zr",
"density": 0.7292890252541061,
"density_atomic": 0.00339988749282181,
"volume": 1176.5095193429809,
"volume_molar": 177.12764827408438,
"formula_full": "Mg1 Zr1 Hg2",
"formula_reduced": "MgZrHg2",
"formula_anonymous": "ABC2",
"energy": -4.52947294,
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"updated_at": "2021-11-28T01:34:29.695000Z",
"spacegroup": 71
},
{
"id": "mp-1093746",
"created_at": "2022-09-04T14:39:08.717368Z",
"structure_string": "Na1 Ag2 Pd1\n1.0\n-5.482731 6.157979 8.715292\n5.482731 -6.157979 8.715292\n5.482731 6.157979 -8.715292\nNa Ag Pd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.259842 0.259842 Ag\n0.000000 0.740158 0.740158 Ag\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
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"density": 0.4869395826709787,
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"volume": 1177.0016613417015,
"volume_molar": 177.2017419838394,
"formula_full": "Na1 Ag2 Pd1",
"formula_reduced": "NaAg2Pd",
"formula_anonymous": "ABC2",
"energy": -6.5554605,
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"band_gap": 0.0519999999999996,
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"updated_at": "2021-11-28T01:34:34.096000Z",
"spacegroup": 71
},
{
"id": "mp-1093660",
"created_at": "2022-09-04T14:48:28.490433Z",
"structure_string": "Li1 Mg2 In1\n1.0\n-5.866142 5.920438 8.479989\n5.866142 -5.920438 8.479989\n5.866142 5.920438 -8.479989\nLi Mg In\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.249155 0.249155 Mg\n0.000000 0.750845 0.750845 Mg\n0.000000 0.500000 0.500000 In\n",
"nsites": 4,
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"elements": [
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"Mg",
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"chemical_system": "In-Li-Mg",
"density": 0.24014745164841006,
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"volume": 1178.0444818201277,
"volume_molar": 177.35874227655174,
"formula_full": "Li1 Mg2 In1",
"formula_reduced": "LiMg2In",
"formula_anonymous": "ABC2",
"energy": -3.23244003,
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"energy_above_hull": null,
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"energy_uncorrected": -3.23244003,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:39:21.962000Z",
"spacegroup": 71
}
]
}