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{
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{
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{
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{
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"id": "mp-1211673",
"created_at": "2022-09-04T14:40:53.624877Z",
"structure_string": "Li28 Mg32 Zn36\n1.0\n5.219986 -9.041280 0.000000\n5.219986 9.041280 0.000000\n0.000000 0.000000 17.456785\nLi Mg Zn\n28 32 36\ndirect\n0.081918 0.415465 0.250000 Li\n0.918082 0.584535 0.750000 Li\n0.584535 0.666453 0.250000 Li\n0.415465 0.081918 0.750000 Li\n0.415465 0.333547 0.750000 Li\n0.584535 0.918082 0.250000 Li\n0.333547 0.918082 0.250000 Li\n0.666453 0.584535 0.750000 Li\n0.666453 0.081918 0.750000 Li\n0.333547 0.415465 0.250000 Li\n0.918082 0.333547 0.750000 Li\n0.081918 0.666453 0.250000 Li\n0.333333 0.666667 0.623439 Li\n0.666667 0.333333 0.376561 Li\n0.666667 0.333333 0.123439 Li\n0.333333 0.666667 0.876561 Li\n0.251318 0.000000 0.000000 Li\n0.748682 0.000000 0.000000 Li\n0.000000 0.251318 0.000000 Li\n0.748682 0.000000 0.500000 Li\n0.000000 0.748682 0.000000 Li\n0.251318 0.000000 0.500000 Li\n0.748682 0.748682 0.000000 Li\n0.000000 0.748682 0.500000 Li\n0.251318 0.251318 0.000000 Li\n0.000000 0.251318 0.500000 Li\n0.251318 0.251318 0.500000 Li\n0.748682 0.748682 0.500000 Li\n0.166857 0.333714 0.656056 Mg\n0.833143 0.666286 0.343944 Mg\n0.666286 0.833143 0.656056 Mg\n0.833143 0.666286 0.156056 Mg\n0.333714 0.166857 0.343944 Mg\n0.166857 0.333714 0.843944 Mg\n0.166857 0.833143 0.656056 Mg\n0.333714 0.166857 0.156056 Mg\n0.833143 0.166857 0.343944 Mg\n0.666286 0.833143 0.843944 Mg\n0.833143 0.166857 0.156056 Mg\n0.166857 0.833143 0.843944 Mg\n0.499739 0.999479 0.094262 Mg\n0.500261 0.000521 0.905738 Mg\n0.000521 0.500261 0.094262 Mg\n0.500261 0.000521 0.594262 Mg\n0.999479 0.499739 0.905738 Mg\n0.499739 0.999479 0.405738 Mg\n0.499739 0.500261 0.094262 Mg\n0.999479 0.499739 0.594262 Mg\n0.500261 0.499739 0.905738 Mg\n0.000521 0.500261 0.405738 Mg\n0.500261 0.499739 0.594262 Mg\n0.499739 0.500261 0.405738 Mg\n0.333333 0.666667 0.153428 Mg\n0.666667 0.333333 0.846572 Mg\n0.666667 0.333333 0.653428 Mg\n0.333333 0.666667 0.346572 Mg\n0.000000 0.000000 0.097099 Mg\n0.000000 0.000000 0.902901 Mg\n0.000000 0.000000 0.597099 Mg\n0.000000 0.000000 0.402901 Mg\n0.167220 0.334440 0.124831 Zn\n0.832780 0.665560 0.875169 Zn\n0.665560 0.832780 0.124831 Zn\n0.832780 0.665560 0.624831 Zn\n0.334440 0.167220 0.875169 Zn\n0.167220 0.334440 0.375169 Zn\n0.167220 0.832780 0.124831 Zn\n0.334440 0.167220 0.624831 Zn\n0.832780 0.167220 0.875169 Zn\n0.665560 0.832780 0.375169 Zn\n0.832780 0.167220 0.624831 Zn\n0.167220 0.832780 0.375169 Zn\n0.583500 0.167000 0.250000 Zn\n0.416500 0.833000 0.750000 Zn\n0.833000 0.416500 0.250000 Zn\n0.167000 0.583500 0.750000 Zn\n0.583500 0.416500 0.250000 Zn\n0.416500 0.583500 0.750000 Zn\n0.249505 0.499009 0.001416 Zn\n0.750495 0.500991 0.998584 Zn\n0.500991 0.750495 0.001416 Zn\n0.750495 0.500991 0.501416 Zn\n0.499009 0.249505 0.998584 Zn\n0.249505 0.499009 0.498584 Zn\n0.249505 0.750495 0.001416 Zn\n0.499009 0.249505 0.501416 Zn\n0.750495 0.249505 0.998584 Zn\n0.500991 0.750495 0.498584 Zn\n0.750495 0.249505 0.501416 Zn\n0.249505 0.750495 0.498584 Zn\n0.083253 0.166506 0.250000 Zn\n0.916747 0.833494 0.750000 Zn\n0.833494 0.916747 0.250000 Zn\n0.166506 0.083253 0.750000 Zn\n0.083253 0.916747 0.250000 Zn\n0.916747 0.083253 0.750000 Zn\n",
"nsites": 96,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Zn"
],
"chemical_system": "Li-Mg-Zn",
"density": 3.352636366197971,
"density_atomic": 0.058260970786813644,
"volume": 1647.7583312382417,
"volume_molar": 10.336492301228537,
"formula_full": "Li28 Mg32 Zn36",
"formula_reduced": "Li7Mg8Zn9",
"formula_anonymous": "A7B8C9",
"energy": -164.24263583,
"energy_per_atom": -1.7108607898958335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -164.24263583,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.7560038,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58.461000Z",
"spacegroup": 194
}
]
}