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{
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{
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{
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"structure_string": "Yb20 Cd3 Au9\n1.0\n7.986894 0.000000 0.000000\n0.000000 7.986894 0.000000\n0.000000 0.000000 14.146899\nYb Cd Au\n20 3 9\ndirect\n0.000000 0.000000 0.753137 Yb\n0.500000 0.500000 0.248292 Yb\n0.000000 0.000000 0.246863 Yb\n0.500000 0.500000 0.751708 Yb\n0.171678 0.657790 0.108839 Yb\n0.663618 0.164198 0.612307 Yb\n0.828322 0.342210 0.108839 Yb\n0.336382 0.835802 0.612307 Yb\n0.342210 0.171678 0.108839 Yb\n0.835802 0.663618 0.612307 Yb\n0.657790 0.828322 0.108839 Yb\n0.164198 0.336382 0.612307 Yb\n0.342210 0.828322 0.891161 Yb\n0.835802 0.336382 0.387693 Yb\n0.657790 0.171678 0.891161 Yb\n0.164198 0.663618 0.387693 Yb\n0.171678 0.342210 0.891161 Yb\n0.663618 0.835802 0.387693 Yb\n0.828322 0.657790 0.891161 Yb\n0.336382 0.164198 0.387693 Yb\n0.000000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Cd\n0.634643 0.133890 0.248935 Au\n0.133890 0.634643 0.751065 Au\n0.866110 0.365357 0.751065 Au\n0.365357 0.866110 0.248935 Au\n0.365357 0.133890 0.751065 Au\n0.866110 0.634643 0.248935 Au\n0.133890 0.365357 0.248935 Au\n0.634643 0.866110 0.751065 Au\n0.500000 0.500000 0.000000 Au\n",
"nsites": 32,
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"elements": [
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],
"chemical_system": "Au-Cd-Yb",
"density": 10.250481788104938,
"density_atomic": 0.0354595225855726,
"volume": 902.4374178410352,
"volume_molar": 16.983141116655155,
"formula_full": "Yb20 Cd3 Au9",
"formula_reduced": "Yb20(CdAu3)3",
"formula_anonymous": "A3B9C20",
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"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.7e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:37.486000Z",
"spacegroup": 89
},
{
"id": "mp-1228632",
"created_at": "2022-09-04T14:43:13.018195Z",
"structure_string": "Al3 Cr20 Si9\n1.0\n0.000000 0.000000 4.629396\n-4.569709 4.569709 -2.314698\n-9.163360 -9.163360 0.000000\nAl Cr Si\n3 20 9\ndirect\n0.250000 0.000000 0.000000 Al\n0.750000 0.000000 0.500000 Al\n0.750000 0.000000 0.000000 Al\n0.928861 0.845583 0.345690 Cr\n0.419694 0.841119 0.842516 Cr\n0.578574 0.158881 0.157484 Cr\n0.083278 0.154417 0.654310 Cr\n0.159205 0.318254 0.078693 Cr\n0.650429 0.311513 0.577173 Cr\n0.338916 0.688487 0.422827 Cr\n0.840951 0.681746 0.921307 Cr\n0.340795 0.681746 0.078693 Cr\n0.849571 0.688487 0.577173 Cr\n0.161084 0.311513 0.422827 Cr\n0.659049 0.318254 0.921307 Cr\n0.571139 0.154417 0.345690 Cr\n0.080306 0.158881 0.842516 Cr\n0.921426 0.841119 0.157484 Cr\n0.416722 0.845583 0.654310 Cr\n0.497368 0.500089 0.251257 Cr\n0.997280 0.499911 0.748743 Cr\n0.002632 0.499911 0.251257 Cr\n0.502720 0.500089 0.748743 Cr\n0.250000 0.000000 0.500000 Si\n0.750000 0.500000 0.084545 Si\n0.250000 0.500000 0.583564 Si\n0.750000 0.500000 0.416436 Si\n0.250000 0.500000 0.915455 Si\n0.419834 0.834646 0.249992 Si\n0.914811 0.834646 0.750008 Si\n0.080166 0.165354 0.249992 Si\n0.585189 0.165354 0.750008 Si\n",
"nsites": 32,
"nelements": 3,
"elements": [
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"Cr",
"Si"
],
"chemical_system": "Al-Cr-Si",
"density": 5.883329561724044,
"density_atomic": 0.08253769885723965,
"volume": 387.7016253548384,
"volume_molar": 7.296230502398819,
"formula_full": "Al3 Cr20 Si9",
"formula_reduced": "Al3Cr20Si9",
"formula_anonymous": "A3B9C20",
"energy": -259.33874706,
"energy_per_atom": -8.104335845625,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -259.97774706,
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"is_magnetic": false,
"total_magnetization": 0.0164353,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:04.267000Z",
"spacegroup": 21
}
]
}