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{
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{
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{
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{
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{
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"created_at": "2022-09-04T14:48:17.740958Z",
"structure_string": "Li12 Cu12 P12 O48\n1.0\n5.405436 -9.362490 0.000000\n5.405436 9.362490 0.000000\n0.000000 0.000000 11.163936\nLi Cu P O\n12 12 12 48\ndirect\n0.000000 0.500000 0.014269 Li\n0.000000 0.500000 0.652398 Li\n0.000000 0.500000 0.333333 Li\n0.000000 0.000000 0.166667 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.833333 Li\n0.500000 0.500000 0.347602 Li\n0.500000 0.500000 0.666667 Li\n0.500000 0.500000 0.985731 Li\n0.500000 0.000000 0.319065 Li\n0.500000 0.000000 0.000000 Li\n0.500000 0.000000 0.680935 Li\n0.000000 0.765172 0.333333 Cu\n0.246686 0.753314 0.666667 Cu\n0.000000 0.234828 0.333333 Cu\n0.246686 0.493372 0.000000 Cu\n0.234828 0.234828 0.666667 Cu\n0.506628 0.753314 0.333333 Cu\n0.234828 0.000000 0.000000 Cu\n0.493372 0.246686 0.333333 Cu\n0.765172 0.765172 0.666667 Cu\n0.753314 0.506628 0.000000 Cu\n0.753314 0.246686 0.666667 Cu\n0.765172 0.000000 0.000000 Cu\n0.000000 0.740810 0.833333 P\n0.000000 0.259190 0.833333 P\n0.250139 0.749861 0.166667 P\n0.250139 0.500278 0.500000 P\n0.499722 0.749861 0.833333 P\n0.259190 0.259190 0.166667 P\n0.259190 0.000000 0.500000 P\n0.740810 0.740810 0.166667 P\n0.500278 0.250139 0.833333 P\n0.749861 0.499722 0.500000 P\n0.749861 0.250139 0.166667 P\n0.740810 0.000000 0.500000 P\n0.105490 0.881781 0.463182 O\n0.118219 0.894510 0.870151 O\n0.049645 0.681885 0.729501 O\n0.121608 0.705249 0.250869 O\n0.294751 0.878392 0.082464 O\n0.318115 0.950355 0.603832 O\n0.197573 0.586772 0.574619 O\n0.049645 0.367761 0.937166 O\n0.197573 0.610801 0.092048 O\n0.121608 0.416359 0.415797 O\n0.105490 0.223709 0.203485 O\n0.413228 0.802427 0.758715 O\n0.389199 0.802427 0.241285 O\n0.118219 0.223709 0.796515 O\n0.294751 0.416359 0.584203 O\n0.413228 0.610801 0.907952 O\n0.318115 0.367761 0.062834 O\n0.389199 0.586772 0.425381 O\n0.223709 0.118219 0.536818 O\n0.223709 0.105490 0.129849 O\n0.632239 0.950355 0.396168 O\n0.583641 0.878392 0.917536 O\n0.583641 0.705249 0.749131 O\n0.367761 0.318115 0.270499 O\n0.632239 0.681885 0.270499 O\n0.416359 0.294751 0.749131 O\n0.416359 0.121608 0.917536 O\n0.367761 0.049645 0.396168 O\n0.776291 0.894510 0.129849 O\n0.776291 0.881781 0.536818 O\n0.610801 0.413228 0.425381 O\n0.681885 0.632239 0.062834 O\n0.586772 0.389199 0.907952 O\n0.705249 0.583641 0.584203 O\n0.881781 0.776291 0.796515 O\n0.610801 0.197573 0.241285 O\n0.586772 0.197573 0.758715 O\n0.894510 0.776291 0.203485 O\n0.878392 0.583641 0.415797 O\n0.802427 0.389199 0.092048 O\n0.950355 0.632239 0.937166 O\n0.802427 0.413228 0.574619 O\n0.681885 0.049645 0.603832 O\n0.705249 0.121608 0.082464 O\n0.878392 0.294751 0.250869 O\n0.950355 0.318115 0.729501 O\n0.881781 0.105490 0.870151 O\n0.894510 0.118219 0.463182 O\n",
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"id": "mp-976597",
"created_at": "2022-09-04T14:48:17.867633Z",
"structure_string": "Ho4 Co14 B6\n1.0\n4.998463 -0.000772 -0.000019\n-2.499900 4.329466 0.000017\n-0.000053 0.000023 12.802291\nHo Co B\n4 14 6\ndirect\n0.999980 0.000075 0.500010 Ho\n0.000043 0.999934 0.260668 Ho\n0.999970 0.999997 0.739370 Ho\n0.999987 0.999978 0.999988 Ho\n0.333292 0.666719 0.999998 Co\n0.666684 0.333268 0.999998 Co\n0.500002 0.000001 0.383714 Co\n0.999986 0.499999 0.383731 Co\n0.500009 0.500012 0.383730 Co\n0.499997 0.000010 0.616308 Co\n0.499986 0.500011 0.616222 Co\n0.999996 0.500036 0.616251 Co\n0.500036 0.000055 0.153927 Co\n0.999960 0.499935 0.153987 Co\n0.500028 0.499959 0.153904 Co\n0.500000 0.000041 0.846038 Co\n0.500000 0.499969 0.846061 Co\n0.999952 0.499988 0.846069 Co\n0.333427 0.666648 0.267973 B\n0.666589 0.333319 0.267983 B\n0.666841 0.333384 0.732023 B\n0.333145 0.666611 0.732035 B\n0.333342 0.666671 0.500005 B\n0.666646 0.333382 0.500006 B\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ho",
"Co",
"B"
],
"chemical_system": "B-Co-Ho",
"density": 9.288883240712758,
"density_atomic": 0.0866346178942848,
"volume": 277.02551916701253,
"volume_molar": 6.951194460565948,
"formula_full": "Ho4 Co14 B6",
"formula_reduced": "Ho2Co7B3",
"formula_anonymous": "A2B3C7",
"energy": -167.82102888,
"energy_per_atom": -6.99254287,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -167.82102888,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.2699157,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:04.736000Z",
"spacegroup": 191
},
{
"id": "mp-1222662",
"created_at": "2022-09-04T14:48:17.873929Z",
"structure_string": "Li2 Mg1 Bi1\n1.0\n0.000000 3.560557 3.560557\n3.560557 0.000000 3.560557\n3.560557 3.560557 0.000000\nLi Mg Bi\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Mg\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Bi"
],
"chemical_system": "Bi-Li-Mg",
"density": 4.546282963409686,
"density_atomic": 0.04430738997117651,
"volume": 90.27839379846428,
"volume_molar": 13.591729876026575,
"formula_full": "Li2 Mg1 Bi1",
"formula_reduced": "Li2MgBi",
"formula_anonymous": "ABC2",
"energy": -10.41423112,
"energy_per_atom": -2.60355778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.41423112,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0269906,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:51.947000Z",
"spacegroup": 216
}
]
}