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{
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{
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{
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"id": "mp-570187",
"created_at": "2022-09-04T14:39:37.644235Z",
"structure_string": "Tb10 Bi2 Au4\n1.0\n-3.739206 3.739206 8.773038\n3.739206 -3.739206 8.773038\n3.739206 3.739206 -8.773038\nTb Bi Au\n10 2 4\ndirect\n0.500628 0.328074 0.500000 Tb\n0.828074 0.000628 0.500000 Tb\n0.671926 0.171926 0.172554 Tb\n0.999372 0.499372 0.827446 Tb\n0.328074 0.828074 0.827446 Tb\n0.171926 0.999372 0.500000 Tb\n0.500000 0.500000 0.000000 Tb\n0.499372 0.671926 0.500000 Tb\n0.000628 0.500628 0.172554 Tb\n0.000000 0.000000 0.000000 Tb\n0.750000 0.750000 0.000000 Bi\n0.250000 0.250000 0.000000 Bi\n0.626625 0.873375 0.500000 Au\n0.873375 0.373375 0.246750 Au\n0.126625 0.626625 0.753250 Au\n0.373375 0.126625 0.500000 Au\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Tb",
"Bi",
"Au"
],
"chemical_system": "Au-Bi-Tb",
"density": 9.45964076073845,
"density_atomic": 0.032610029898407965,
"volume": 490.6465909367696,
"volume_molar": 18.467142712721042,
"formula_full": "Tb10 Bi2 Au4",
"formula_reduced": "Tb5BiAu2",
"formula_anonymous": "AB2C5",
"energy": -72.41449276,
"energy_per_atom": -4.5259057975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.41449276,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0061237,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.340000Z",
"spacegroup": 140
},
{
"id": "mp-29846",
"created_at": "2022-09-04T14:43:58.315112Z",
"structure_string": "Tb10 B2 Br15\n1.0\n9.097365 0.000000 0.000000\n-3.496651 9.225615 0.000000\n-4.449660 -1.929662 9.564695\nTb B Br\n10 2 15\ndirect\n0.798956 0.407506 0.275163 Tb\n0.201044 0.592494 0.724837 Tb\n0.674153 0.746750 0.822051 Tb\n0.325847 0.253250 0.177949 Tb\n0.525220 0.704685 0.094423 Tb\n0.474780 0.295315 0.905577 Tb\n0.584997 0.040894 0.322894 Tb\n0.415003 0.959106 0.677106 Tb\n0.721151 0.074215 0.048068 Tb\n0.278849 0.925785 0.951932 Tb\n0.467430 0.819528 0.877107 B\n0.532570 0.180472 0.122893 B\n0.000000 0.000000 0.000000 Br\n0.637948 0.882970 0.584214 Br\n0.362052 0.117030 0.415786 Br\n0.884281 0.299612 0.528698 Br\n0.115719 0.700388 0.471302 Br\n0.290422 0.761605 0.180263 Br\n0.709578 0.238395 0.819737 Br\n0.056155 0.342257 0.227087 Br\n0.165143 0.058114 0.702472 Br\n0.834857 0.941886 0.297528 Br\n0.230982 0.410202 0.943210 Br\n0.769018 0.589798 0.056790 Br\n0.408396 0.462763 0.659240 Br\n0.591604 0.537237 0.340760 Br\n0.943845 0.657743 0.772913 Br\n",
"nsites": 27,
"nelements": 3,
"elements": [
"Tb",
"B",
"Br"
],
"chemical_system": "B-Br-Tb",
"density": 5.811471216375062,
"density_atomic": 0.03363424566587923,
"volume": 802.753249417767,
"volume_molar": 17.9047891242266,
"formula_full": "Tb10 B2 Br15",
"formula_reduced": "Tb10B2Br15",
"formula_anonymous": "A2B10C15",
"energy": -133.89350675,
"energy_per_atom": -4.9590187685185185,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -125.88350675,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.6316684,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:09.590000Z",
"spacegroup": 2
}
]
}