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"structure_string": "Li4 Cu2 Si2 O8\n1.0\n4.842855 0.000000 0.000000\n0.000000 5.092119 0.000000\n0.000000 0.029240 6.915374\nLi Cu Si O\n4 2 2 8\ndirect\n0.005830 0.174567 0.263417 Li\n0.495681 0.188617 0.493004 Li\n0.995681 0.811383 0.506996 Li\n0.505830 0.825433 0.736583 Li\n0.518446 0.247166 0.003319 Cu\n0.018446 0.752834 0.996681 Cu\n0.992314 0.304427 0.740072 Si\n0.492314 0.695573 0.259928 Si\n0.119367 0.183444 0.949298 O\n0.107411 0.178559 0.542968 O\n0.656077 0.237238 0.748253 O\n0.058837 0.625668 0.743017 O\n0.558837 0.374332 0.256983 O\n0.156077 0.762762 0.251747 O\n0.607411 0.821441 0.457032 O\n0.619367 0.816556 0.050702 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Cu",
"Si",
"O"
],
"chemical_system": "Cu-Li-O-Si",
"density": 3.3011218270244767,
"density_atomic": 0.09382191639424114,
"volume": 170.53584721897764,
"volume_molar": 6.418692978615862,
"formula_full": "Li4 Cu2 Si2 O8",
"formula_reduced": "Li2CuSiO4",
"formula_anonymous": "ABC2D4",
"energy": -102.72462628,
"energy_per_atom": -6.4202891425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -97.22862628,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9663851,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:59.172000Z",
"spacegroup": 4
},
{
"id": "mp-1215498",
"created_at": "2022-09-04T14:48:19.315483Z",
"structure_string": "Yb1 Ge1 Au1\n1.0\n0.000000 0.000000 -3.472747\n-4.580778 0.003082 0.000000\n-2.293059 3.964585 0.000000\nYb Ge Au\n1 1 1\ndirect\n0.000000 0.999914 0.999915 Yb\n0.500000 0.666446 0.666427 Ge\n0.500000 0.333540 0.333758 Au\n",
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"nelements": 3,
"elements": [
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"Ge",
"Au"
],
"chemical_system": "Au-Ge-Yb",
"density": 11.6591022955822,
"density_atomic": 0.04758610600469773,
"volume": 63.043611925376666,
"volume_molar": 12.655250167781096,
"formula_full": "Yb1 Ge1 Au1",
"formula_reduced": "YbGeAu",
"formula_anonymous": "ABC",
"energy": -11.81036009,
"energy_per_atom": -3.9367866966666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.81036009,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001397,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:53.795000Z",
"spacegroup": 187
}
]
}