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{
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"results": [
{
"id": "mp-1039249",
"created_at": "2022-09-04T14:40:22.050825Z",
"structure_string": "Mg1 Cd3\n1.0\n0.000000 3.540325 3.540325\n3.540325 0.000000 3.540325\n3.540325 3.540325 0.000000\nMg Cd\n1 3\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Cd\n0.250000 0.250000 0.250000 Cd\n0.750000 0.750000 0.750000 Cd\n",
"nsites": 4,
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"elements": [
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"density": 6.7646239272018605,
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"volume": 88.74816686354366,
"volume_molar": 13.361348826105692,
"formula_full": "Mg1 Cd3",
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"updated_at": "2021-11-28T01:34:51.167000Z",
"spacegroup": 225
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{
"id": "mp-1039246",
"created_at": "2022-09-04T14:44:54.955932Z",
"structure_string": "Mg3 Cd3\n1.0\n2.643322 4.816076 0.000000\n-2.643322 4.816076 0.000000\n0.000000 3.204122 5.172955\nMg Cd\n3 3\ndirect\n0.673603 0.998297 0.001297 Mg\n0.001703 0.326397 0.998703 Mg\n0.491932 0.508068 0.500000 Mg\n0.339168 0.660832 0.000000 Cd\n0.162530 0.168937 0.504606 Cd\n0.831063 0.837470 0.495394 Cd\n",
"nsites": 6,
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"elements": [
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"chemical_system": "Cd-Mg",
"density": 5.171036428426521,
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"volume": 131.70798282213931,
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"formula_full": "Mg3 Cd3",
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"updated_at": "2021-11-28T01:36:45.457000Z",
"spacegroup": 5
},
{
"id": "mp-1039242",
"created_at": "2022-09-04T14:39:46.565633Z",
"structure_string": "Mg4 Bi2\n1.0\n1.637331 -8.488865 0.000000\n1.637331 8.488865 0.000000\n0.000000 0.000000 5.628602\nMg Bi\n4 2\ndirect\n0.115123 0.884877 0.250000 Mg\n0.773262 0.226738 0.250000 Mg\n0.226738 0.773262 0.750000 Mg\n0.884877 0.115123 0.750000 Mg\n0.436727 0.563273 0.250000 Bi\n0.563273 0.436727 0.750000 Bi\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Bi"
],
"chemical_system": "Bi-Mg",
"density": 5.467541886446772,
"density_atomic": 0.03834728335693841,
"volume": 156.46479945272011,
"volume_molar": 15.704217438157524,
"formula_full": "Mg4 Bi2",
"formula_reduced": "Mg2Bi",
"formula_anonymous": "AB2",
"energy": -14.21042005,
"energy_per_atom": -2.3684033416666668,
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"energy_uncorrected": -14.21042005,
"band_gap": 0.0,
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"total_magnetization": 0.0039621,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.567000Z",
"spacegroup": 63
},
{
"id": "mp-1039236",
"created_at": "2022-09-04T14:40:38.811668Z",
"structure_string": "Mg3 Bi3\n1.0\n3.107409 4.869190 0.000000\n-3.107409 4.869190 0.000000\n0.000000 2.293485 5.566212\nMg Bi\n3 3\ndirect\n0.662625 0.002350 0.003205 Mg\n0.997650 0.337375 0.996795 Mg\n0.501861 0.498139 0.500000 Mg\n0.380279 0.619721 0.000000 Bi\n0.150165 0.192581 0.496319 Bi\n0.807419 0.849835 0.503681 Bi\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Bi"
],
"chemical_system": "Bi-Mg",
"density": 6.899427131905828,
"density_atomic": 0.03562102160363104,
"volume": 168.4398630326871,
"volume_molar": 16.906142746299373,
"formula_full": "Mg3 Bi3",
"formula_reduced": "MgBi",
"formula_anonymous": "AB",
"energy": -16.72346221,
"energy_per_atom": -2.7872437016666667,
"energy_above_hull": null,
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"energy_uncorrected": -16.72346221,
"band_gap": 0.0,
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"total_magnetization": 0.0001996,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.963000Z",
"spacegroup": 5
},
{
"id": "mp-1039233",
"created_at": "2022-09-04T14:48:13.454951Z",
"structure_string": "Ca2 Mg4\n1.0\n1.741644 -3.016615 0.000000\n1.741644 3.016615 0.000000\n0.000000 0.000000 16.686065\nCa Mg\n2 4\ndirect\n0.000000 0.000000 0.327393 Ca\n0.000000 0.000000 0.672607 Ca\n0.000000 0.000000 0.000000 Mg\n0.666667 0.333333 0.155000 Mg\n0.666667 0.333333 0.500000 Mg\n0.666667 0.333333 0.845000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg",
"density": 1.679889646620867,
"density_atomic": 0.03422063385141251,
"volume": 175.33281312240626,
"volume_molar": 17.597981341165095,
"formula_full": "Ca2 Mg4",
"formula_reduced": "CaMg2",
"formula_anonymous": "AB2",
"energy": -9.85633519,
"energy_per_atom": -1.6427225316666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.85633519,
"band_gap": 0.0,
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"total_magnetization": 0.0012252,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:37.207000Z",
"spacegroup": 187
},
{
"id": "mp-1039230",
"created_at": "2022-09-04T14:39:29.346401Z",
"structure_string": "Ca3 Mg1\n1.0\n0.000000 4.159925 4.159925\n4.159925 0.000000 4.159925\n4.159925 4.159925 0.000000\nCa Mg\n3 1\ndirect\n0.500000 0.500000 0.500000 Ca\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Ca\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg",
"density": 1.6670462361807643,
"density_atomic": 0.02778263884813952,
"volume": 143.9748046203992,
"volume_molar": 21.675913482938554,
"formula_full": "Ca3 Mg1",
"formula_reduced": "Ca3Mg",
"formula_anonymous": "AB3",
"energy": -7.5205251,
"energy_per_atom": -1.880131275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.5205251,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0111709,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.036000Z",
"spacegroup": 225
},
{
"id": "mp-1039229",
"created_at": "2022-09-04T14:46:24.549119Z",
"structure_string": "Ca3 Zn1\n1.0\n-2.509057 2.509057 5.261602\n2.509057 -2.509057 5.261602\n2.509057 2.509057 -5.261602\nCa Zn\n3 1\ndirect\n0.500000 0.500000 0.000000 Ca\n0.250000 0.750000 0.500000 Ca\n0.750000 0.250000 0.500000 Ca\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"Zn"
],
"chemical_system": "Ca-Zn",
"density": 2.326637025344804,
"density_atomic": 0.03018984969839124,
"volume": 132.49486300732238,
"volume_molar": 19.947567875175306,
"formula_full": "Ca3 Zn1",
"formula_reduced": "Ca3Zn",
"formula_anonymous": "AB3",
"energy": -7.17678622,
"energy_per_atom": -1.794196555,
"energy_above_hull": null,
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"energy_uncorrected": -7.17678622,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:38.223000Z",
"spacegroup": 139
},
{
"id": "mp-1039227",
"created_at": "2022-09-04T14:47:09.461515Z",
"structure_string": "Ca4 Mg2\n1.0\n1.886873 -3.268159 0.000000\n1.886873 3.268159 0.000000\n0.000000 0.000000 17.610220\nCa Mg\n4 2\ndirect\n0.333333 0.666667 0.907673 Ca\n0.333333 0.666667 0.592327 Ca\n0.666667 0.333333 0.407673 Ca\n0.666667 0.333333 0.092327 Ca\n0.666667 0.333333 0.750000 Mg\n0.333333 0.666667 0.250000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg",
"density": 1.5973226410527652,
"density_atomic": 0.02762553044737921,
"volume": 217.19039970757234,
"volume_molar": 21.79918597932772,
"formula_full": "Ca4 Mg2",
"formula_reduced": "Ca2Mg",
"formula_anonymous": "AB2",
"energy": -10.87251073,
"energy_per_atom": -1.8120851216666667,
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"energy_uncorrected": -10.87251073,
"band_gap": 0.0,
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"total_magnetization": 0.1787268,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:48.698000Z",
"spacegroup": 194
},
{
"id": "mp-1039222",
"created_at": "2022-09-04T14:42:56.146014Z",
"structure_string": "Mg3 Cd3\n1.0\n1.599098 5.854236 0.000000\n-1.599098 5.854236 0.000000\n0.000000 1.849754 7.076344\nMg Cd\n3 3\ndirect\n0.997957 0.997957 0.003660 Mg\n0.944615 0.944615 0.608783 Mg\n0.668245 0.668245 0.665764 Mg\n0.609495 0.609495 0.279936 Cd\n0.333858 0.333858 0.335537 Cd\n0.279162 0.279162 0.939654 Cd\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 5.140501105082672,
"density_atomic": 0.04528631797659588,
"volume": 132.4903473738099,
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"formula_full": "Mg3 Cd3",
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"energy": -7.89692771,
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"updated_at": "2021-11-28T01:36:08.890000Z",
"spacegroup": 8
},
{
"id": "mp-1039217",
"created_at": "2022-09-04T14:43:56.365586Z",
"structure_string": "Mg2 Cd4\n1.0\n1.576268 -2.730176 0.000000\n1.576268 2.730176 0.000000\n0.000000 0.000000 15.673068\nMg Cd\n2 4\ndirect\n0.333333 0.666667 0.750000 Mg\n0.666667 0.333333 0.250000 Mg\n0.666667 0.333333 0.915215 Cd\n0.666667 0.333333 0.584785 Cd\n0.333333 0.666667 0.415215 Cd\n0.333333 0.666667 0.084785 Cd\n",
"nsites": 6,
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"density": 6.1333136463618825,
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"volume": 134.89775344857674,
"volume_molar": 13.539554324585074,
"formula_full": "Mg2 Cd4",
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"energy": -6.92582986,
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"updated_at": "2021-11-28T01:36:22.034000Z",
"spacegroup": 194
},
{
"id": "mp-1039208",
"created_at": "2022-09-04T14:41:32.279812Z",
"structure_string": "Ca4 Zn2\n1.0\n7.458488 0.000000 0.000000\n0.000000 7.458488 0.000000\n0.000000 0.000000 3.948378\nCa Zn\n4 2\ndirect\n0.282156 0.282156 0.000000 Ca\n0.717844 0.717844 0.000000 Ca\n0.217844 0.782156 0.500000 Ca\n0.782156 0.217844 0.500000 Ca\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 6,
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"elements": [
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"density": 2.200978214057103,
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"volume": 219.64449051412356,
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"formula_full": "Ca4 Zn2",
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"updated_at": "2021-11-28T01:35:22.150000Z",
"spacegroup": 136
},
{
"id": "mp-1039204",
"created_at": "2022-09-04T14:43:10.414305Z",
"structure_string": "Mg2 Cd4\n1.0\n1.599235 5.905968 0.000000\n-1.599235 5.905968 0.000000\n0.000000 2.291614 7.073189\nMg Cd\n2 4\ndirect\n0.807249 0.807249 0.639353 Mg\n0.192751 0.192751 0.360647 Mg\n0.139640 0.139640 0.974775 Cd\n0.532421 0.532421 0.689448 Cd\n0.467579 0.467579 0.310552 Cd\n0.860360 0.860360 0.025225 Cd\n",
"nsites": 6,
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"elements": [
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"density": 6.192289574735589,
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"volume": 133.61297499157172,
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"formula_full": "Mg2 Cd4",
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"energy": -7.12367891,
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"total_magnetization": 0.0001187,
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"updated_at": "2021-11-28T01:35:56.812000Z",
"spacegroup": 12
}
]
}