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{
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{
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{
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{
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"created_at": "2022-09-04T14:41:32.470347Z",
"structure_string": "Cs2 Li2 Mg12\n1.0\n5.551338 0.000000 0.000000\n0.000000 6.591493 0.000000\n0.000000 0.000000 12.397620\nCs Li Mg\n2 2 12\ndirect\n0.500000 0.500000 0.170354 Cs\n0.500000 0.000000 0.670354 Cs\n0.500000 0.000000 0.166964 Li\n0.500000 0.500000 0.666964 Li\n0.500000 0.252185 0.418548 Mg\n0.500000 0.747815 0.418548 Mg\n0.000000 0.769647 0.073268 Mg\n0.000000 0.230353 0.073268 Mg\n0.000000 0.000000 0.331322 Mg\n0.000000 0.500000 0.347725 Mg\n0.500000 0.752185 0.918548 Mg\n0.500000 0.247815 0.918548 Mg\n0.000000 0.269647 0.573268 Mg\n0.000000 0.730353 0.573268 Mg\n0.000000 0.500000 0.831322 Mg\n0.000000 0.000000 0.847725 Mg\n",
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{
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"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.991591 0.000000 0.000000\n-0.280963 10.005415 0.000000\n-0.190728 -2.965765 9.666724\nLi Mn Co O\n9 2 5 16\ndirect\n0.995077 0.248841 0.261012 Li\n0.508006 0.500641 0.745672 Li\n0.015195 0.746002 0.245749 Li\n0.502328 0.500120 0.252675 Li\n0.004144 0.748899 0.748555 Li\n0.481182 0.010121 0.257798 Li\n0.508189 0.997098 0.748688 Li\n0.985039 0.253993 0.746150 Li\n0.514601 0.244939 0.489849 Li\n0.998632 0.000649 0.000736 Mn\n0.986599 0.004843 0.499971 Mn\n0.001314 0.499333 0.999059 Co\n0.489954 0.749838 0.503562 Co\n0.013538 0.491285 0.500378 Co\n0.509624 0.748210 0.000616 Co\n0.491750 0.251751 0.999279 Co\n0.452410 0.130059 0.117594 O\n0.005280 0.391571 0.614632 O\n0.512891 0.625453 0.118062 O\n0.004800 0.377343 0.113823 O\n0.472196 0.623953 0.611569 O\n0.020622 0.872108 0.113659 O\n0.959262 0.871211 0.612799 O\n0.498678 0.107889 0.608826 O\n0.550342 0.388511 0.385186 O\n0.999554 0.623450 0.885060 O\n0.478166 0.882040 0.396149 O\n0.031730 0.625761 0.392848 O\n0.542729 0.871249 0.882761 O\n0.996274 0.112960 0.381935 O\n0.979830 0.126235 0.884951 O\n0.490062 0.373645 0.880396 O\n",
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"id": "mp-17910",
"created_at": "2022-09-04T14:41:32.536076Z",
"structure_string": "Nb10 Ge6\n1.0\n3.854234 -6.675730 0.000000\n3.854234 6.675730 0.000000\n0.000000 0.000000 5.363586\nNb Ge\n10 6\ndirect\n0.000000 0.751104 0.750000 Nb\n0.000000 0.248896 0.250000 Nb\n0.751104 0.751104 0.250000 Nb\n0.751104 0.000000 0.750000 Nb\n0.248896 0.248896 0.750000 Nb\n0.248896 0.000000 0.250000 Nb\n0.333333 0.666667 0.000000 Nb\n0.666667 0.333333 0.500000 Nb\n0.666667 0.333333 0.000000 Nb\n0.333333 0.666667 0.500000 Nb\n0.391632 0.000000 0.750000 Ge\n0.391632 0.391632 0.250000 Ge\n0.000000 0.608368 0.250000 Ge\n0.000000 0.391632 0.750000 Ge\n0.608368 0.608368 0.750000 Ge\n0.608368 0.000000 0.250000 Ge\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Nb",
"Ge"
],
"chemical_system": "Ge-Nb",
"density": 8.211623986654724,
"density_atomic": 0.057969278752587845,
"volume": 276.00826410636915,
"volume_molar": 10.388503858573817,
"formula_full": "Nb10 Ge6",
"formula_reduced": "Nb5Ge3",
"formula_anonymous": "A3B5",
"energy": -135.43330499,
"energy_per_atom": -8.464581561875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -135.43330499,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005456,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:22.816000Z",
"spacegroup": 193
}
]
}