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{
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{
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{
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{
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"structure_string": "Nd10 Ge6 C2\n1.0\n4.424393 -7.663273 0.000000\n4.424393 7.663273 0.000000\n0.000000 0.000000 6.761377\nNd Ge C\n10 6 2\ndirect\n0.666667 0.333333 0.000000 Nd\n0.333333 0.666667 0.000000 Nd\n0.333333 0.666667 0.500000 Nd\n0.666667 0.333333 0.500000 Nd\n0.777674 0.777674 0.750000 Nd\n0.222326 0.000000 0.750000 Nd\n0.000000 0.222326 0.750000 Nd\n0.222326 0.222326 0.250000 Nd\n0.777674 0.000000 0.250000 Nd\n0.000000 0.777674 0.250000 Nd\n0.409045 0.409045 0.750000 Ge\n0.590955 0.000000 0.750000 Ge\n0.000000 0.590955 0.750000 Ge\n0.590955 0.590955 0.250000 Ge\n0.409045 0.000000 0.250000 Ge\n0.000000 0.409045 0.250000 Ge\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
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{
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"id": "mp-979912",
"created_at": "2022-09-04T14:46:27.051037Z",
"structure_string": "Yb10 Sn6\n1.0\n4.671481 -8.091243 0.000000\n4.671481 8.091243 0.000000\n0.000000 0.000000 6.684293\nYb Sn\n10 6\ndirect\n0.333333 0.666667 0.000000 Yb\n0.666667 0.333333 0.500000 Yb\n0.666667 0.333333 0.000000 Yb\n0.333333 0.666667 0.500000 Yb\n0.268973 0.000000 0.250000 Yb\n0.731027 0.000000 0.750000 Yb\n0.000000 0.268973 0.250000 Yb\n0.731027 0.731027 0.250000 Yb\n0.268973 0.268973 0.750000 Yb\n0.000000 0.731027 0.750000 Yb\n0.612509 0.000000 0.250000 Sn\n0.387491 0.000000 0.750000 Sn\n0.000000 0.612509 0.250000 Sn\n0.387491 0.387491 0.250000 Sn\n0.612509 0.612509 0.750000 Sn\n0.000000 0.387491 0.750000 Sn\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Yb",
"Sn"
],
"chemical_system": "Sn-Yb",
"density": 8.027065610659308,
"density_atomic": 0.03166391983418144,
"volume": 505.30698927325733,
"volume_molar": 19.018936352596036,
"formula_full": "Yb10 Sn6",
"formula_reduced": "Yb5Sn3",
"formula_anonymous": "A3B5",
"energy": -49.02443073,
"energy_per_atom": -3.064026920625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.02443073,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0030872,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:39.215000Z",
"spacegroup": 193
}
]
}