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{
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{
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{
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"structure_string": "K8 Be4 F16\n1.0\n5.781450 0.000000 0.000000\n0.000000 7.403878 0.000000\n0.000000 0.000000 10.066512\nK Be F\n8 4 16\ndirect\n0.250000 0.990893 0.306609 K\n0.750000 0.009107 0.693391 K\n0.750000 0.509107 0.806609 K\n0.250000 0.490893 0.193391 K\n0.250000 0.160176 0.912144 K\n0.750000 0.839824 0.087856 K\n0.750000 0.339824 0.412144 K\n0.250000 0.660176 0.587856 K\n0.250000 0.231458 0.580812 Be\n0.750000 0.768542 0.419188 Be\n0.750000 0.268542 0.080812 Be\n0.250000 0.731458 0.919188 Be\n0.029373 0.303446 0.654435 F\n0.529373 0.696554 0.345565 F\n0.529373 0.196554 0.154435 F\n0.029373 0.803446 0.845565 F\n0.470627 0.803446 0.845565 F\n0.970627 0.196554 0.154435 F\n0.970627 0.696554 0.345565 F\n0.470627 0.303446 0.654435 F\n0.250000 0.521460 0.919554 F\n0.750000 0.478540 0.080446 F\n0.750000 0.978540 0.419554 F\n0.250000 0.021460 0.580446 F\n0.250000 0.810901 0.064904 F\n0.750000 0.189099 0.935096 F\n0.750000 0.689099 0.564904 F\n0.250000 0.310901 0.435096 F\n",
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{
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{
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"structure_string": "Li4 Ag4 F8\n1.0\n2.918585 0.000000 0.000000\n0.000000 5.690899 0.000000\n0.000000 0.000000 12.325449\nLi Ag F\n4 4 8\ndirect\n0.750000 0.890180 0.716110 Li\n0.750000 0.609820 0.216110 Li\n0.250000 0.390180 0.783890 Li\n0.250000 0.109820 0.283890 Li\n0.750000 0.792033 0.972804 Ag\n0.750000 0.707967 0.472804 Ag\n0.250000 0.292033 0.527196 Ag\n0.250000 0.207967 0.027196 Ag\n0.750000 0.405372 0.891508 F\n0.750000 0.433208 0.677913 F\n0.750000 0.094628 0.391508 F\n0.750000 0.066792 0.177913 F\n0.250000 0.933208 0.822087 F\n0.250000 0.905372 0.608492 F\n0.250000 0.566792 0.322087 F\n0.250000 0.594628 0.108492 F\n",
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{
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"updated_at": "2021-11-28T01:34:54.473000Z",
"spacegroup": 1
},
{
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"nsites": 114,
"nelements": 5,
"elements": [
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"Mo",
"P",
"H",
"O"
],
"chemical_system": "H-Mo-Na-O-P",
"density": 2.6387325081452526,
"density_atomic": 0.059690233980920486,
"volume": 1909.8601629948243,
"volume_molar": 10.088988362694188,
"formula_full": "Na6 Mo18 P2 H20 O68",
"formula_reduced": "Na3Mo9P(H5O17)2",
"formula_anonymous": "AB3C9D10E34",
"energy": -750.23827293,
"energy_per_atom": -6.581037481842105,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -645.88627293,
"band_gap": 0.0,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:34:57.450000Z",
"spacegroup": 173
},
{
"id": "mp-1027899",
"created_at": "2022-09-04T14:40:25.430142Z",
"structure_string": "Mg14 Zn1 Sb1\n1.0\n6.336172 0.000000 0.000000\n-3.168086 5.487285 -0.000000\n-0.000000 -0.000000 10.298633\nMg Zn Sb\n14 1 1\ndirect\n0.166461 0.833230 0.125000 Mg\n0.166015 0.833007 0.625000 Mg\n0.666770 0.333539 0.125000 Mg\n0.666993 0.333985 0.625000 Mg\n0.666770 0.833230 0.125000 Mg\n0.666993 0.833007 0.625000 Mg\n0.333690 0.166310 0.369959 Mg\n0.333690 0.166310 0.880041 Mg\n0.333690 0.667381 0.369959 Mg\n0.333690 0.667381 0.880041 Mg\n0.832619 0.166310 0.369959 Mg\n0.832619 0.166310 0.880041 Mg\n0.833333 0.666667 0.374524 Mg\n0.833333 0.666667 0.875476 Mg\n0.166667 0.333333 0.125000 Zn\n0.166667 0.333333 0.625000 Sb\n",
"nsites": 16,
"nelements": 3,
"elements": [
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],
"chemical_system": "Mg-Sb-Zn",
"density": 2.4460046569123755,
"density_atomic": 0.04468439944299082,
"volume": 358.0668018244957,
"volume_molar": 13.477054262938363,
"formula_full": "Mg14 Zn1 Sb1",
"formula_reduced": "Mg14ZnSb",
"formula_anonymous": "ABC14",
"energy": -28.50908316,
"energy_per_atom": -1.7818176975,
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"total_magnetization": 1.39e-05,
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"updated_at": "2021-11-28T01:34:47.529000Z",
"spacegroup": 187
}
]
}