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{
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{
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{
"id": "mp-570017",
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"structure_string": "Mg20 Au60\n1.0\n2.943360 -10.128872 0.000000\n2.943360 10.128872 0.000000\n0.000000 0.000000 24.006634\nMg Au\n20 60\ndirect\n0.832110 0.167890 0.951343 Mg\n0.998310 0.001690 0.750000 Mg\n0.831627 0.168373 0.350036 Mg\n0.415039 0.584961 0.849674 Mg\n0.167890 0.832110 0.451343 Mg\n0.168373 0.831627 0.850036 Mg\n0.831627 0.168373 0.149964 Mg\n0.247899 0.752101 0.250000 Mg\n0.832110 0.167890 0.548657 Mg\n0.167890 0.832110 0.048657 Mg\n0.415039 0.584961 0.650326 Mg\n0.001690 0.998310 0.250000 Mg\n0.415865 0.584135 0.048060 Mg\n0.584135 0.415865 0.548060 Mg\n0.168373 0.831627 0.649964 Mg\n0.415865 0.584135 0.451940 Mg\n0.752101 0.247899 0.750000 Mg\n0.584961 0.415039 0.150326 Mg\n0.584135 0.415865 0.951940 Mg\n0.584961 0.415039 0.349674 Mg\n0.958174 0.542969 0.949363 Au\n0.498708 0.501292 0.250000 Au\n0.665446 0.334554 0.449733 Au\n0.958174 0.542969 0.550637 Au\n0.455013 0.040395 0.150067 Au\n0.208382 0.293680 0.149950 Au\n0.872703 0.625818 0.250000 Au\n0.457031 0.041826 0.949363 Au\n0.959605 0.544987 0.150067 Au\n0.790674 0.706167 0.449299 Au\n0.081677 0.918323 0.150194 Au\n0.082661 0.917339 0.550230 Au\n0.247397 0.752603 0.750000 Au\n0.706320 0.791618 0.149950 Au\n0.293833 0.209326 0.449299 Au\n0.209326 0.293833 0.949299 Au\n0.665446 0.334554 0.050267 Au\n0.333395 0.666605 0.149940 Au\n0.041826 0.457031 0.050637 Au\n0.917339 0.082661 0.449770 Au\n0.293833 0.209326 0.050701 Au\n0.501292 0.498708 0.750000 Au\n0.082661 0.917339 0.949770 Au\n0.752603 0.247397 0.250000 Au\n0.334554 0.665446 0.550267 Au\n0.790674 0.706167 0.050701 Au\n0.917339 0.082661 0.050230 Au\n0.959605 0.544987 0.349933 Au\n0.544987 0.959605 0.849933 Au\n0.706167 0.790674 0.550701 Au\n0.374182 0.127297 0.250000 Au\n0.706167 0.790674 0.949299 Au\n0.542969 0.958174 0.449363 Au\n0.918323 0.081677 0.650194 Au\n0.208382 0.293680 0.350050 Au\n0.791618 0.706320 0.649950 Au\n0.625468 0.878310 0.250000 Au\n0.544987 0.959605 0.650067 Au\n0.209326 0.293833 0.550701 Au\n0.127297 0.374182 0.750000 Au\n0.334554 0.665446 0.949733 Au\n0.040395 0.455013 0.650067 Au\n0.293680 0.208382 0.649950 Au\n0.706320 0.791618 0.350050 Au\n0.121690 0.374532 0.250000 Au\n0.666605 0.333395 0.649940 Au\n0.918323 0.081677 0.849806 Au\n0.293680 0.208382 0.850050 Au\n0.455013 0.040395 0.349933 Au\n0.791618 0.706320 0.850050 Au\n0.457031 0.041826 0.550637 Au\n0.542969 0.958174 0.050637 Au\n0.625818 0.872703 0.750000 Au\n0.040395 0.455013 0.849933 Au\n0.666605 0.333395 0.850060 Au\n0.333395 0.666605 0.350060 Au\n0.041826 0.457031 0.449363 Au\n0.374532 0.121690 0.750000 Au\n0.878310 0.625468 0.750000 Au\n0.081677 0.918323 0.349806 Au\n",
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"id": "mp-1185970",
"created_at": "2022-09-04T14:45:02.977319Z",
"structure_string": "Mn6 Co2\n1.0\n2.487134 -4.307842 0.000000\n2.487134 4.307842 0.000000\n0.000000 0.000000 3.953308\nMn Co\n6 2\ndirect\n0.162392 0.324784 0.250000 Mn\n0.675216 0.837608 0.250000 Mn\n0.162392 0.837608 0.250000 Mn\n0.837608 0.675216 0.750000 Mn\n0.324784 0.162392 0.750000 Mn\n0.837608 0.162392 0.750000 Mn\n0.333333 0.666667 0.750000 Co\n0.666667 0.333333 0.250000 Co\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mn",
"Co"
],
"chemical_system": "Co-Mn",
"density": 8.771772449657565,
"density_atomic": 0.09443661012586474,
"volume": 84.71290942503794,
"volume_molar": 6.3769133093338635,
"formula_full": "Mn6 Co2",
"formula_reduced": "Mn3Co",
"formula_anonymous": "AB3",
"energy": -69.31731391,
"energy_per_atom": -8.66466423875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.31731391,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0478685,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:49.585000Z",
"spacegroup": 194
}
]
}