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{
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{
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"structure_string": "Mn4 Zn2 P4 O20\n1.0\n0.000000 5.539043 8.420136\n3.566472 0.000000 8.420136\n3.566472 5.539043 0.000000\nMn Zn P O\n4 2 4 20\ndirect\n0.625000 0.625000 0.125000 Mn\n0.625000 0.125000 0.625000 Mn\n0.625000 0.625000 0.625000 Mn\n0.125000 0.625000 0.625000 Mn\n0.250000 0.250000 0.250000 Zn\n0.000000 0.000000 0.000000 Zn\n0.792515 0.792515 0.207485 P\n0.457485 0.457485 0.042515 P\n0.207485 0.207485 0.792515 P\n0.042515 0.042515 0.457485 P\n0.968167 0.338320 0.002198 O\n0.418858 0.418858 0.581142 O\n0.913287 0.061625 0.362042 O\n0.247802 0.558685 0.281833 O\n0.338320 0.968167 0.691315 O\n0.336713 0.188375 0.887958 O\n0.831142 0.831142 0.668858 O\n0.581142 0.581142 0.418858 O\n0.668858 0.668858 0.831142 O\n0.281833 0.911680 0.247802 O\n0.691315 0.002198 0.338320 O\n0.558685 0.247802 0.911680 O\n0.002198 0.691315 0.968167 O\n0.061625 0.913287 0.663047 O\n0.586953 0.887958 0.188375 O\n0.362042 0.663047 0.913287 O\n0.887958 0.586953 0.336713 O\n0.663047 0.362042 0.061625 O\n0.911680 0.281833 0.558685 O\n0.188375 0.336713 0.586953 O\n",
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{
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{
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{
"id": "mp-998911",
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"structure_string": "Tm2 Ge2\n1.0\n2.116472 -5.300518 0.000000\n2.116472 5.300518 0.000000\n0.000000 0.000000 3.912672\nTm Ge\n2 2\ndirect\n0.861931 0.138069 0.250000 Tm\n0.138069 0.861931 0.750000 Tm\n0.587280 0.412720 0.250000 Ge\n0.412720 0.587280 0.750000 Ge\n",
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{
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"structure_string": "Yb1 Pr3\n1.0\n5.244100 0.000000 0.000000\n0.000000 5.244100 0.000000\n0.000000 0.000000 5.244100\nYb Pr\n1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.000000 0.500000 0.500000 Pr\n0.500000 0.000000 0.500000 Pr\n0.500000 0.500000 0.000000 Pr\n",
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{
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{
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{
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{
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{
"id": "mp-1187561",
"created_at": "2022-09-04T14:45:08.074791Z",
"structure_string": "Yb1 Ga1 O3\n1.0\n3.837686 0.000000 0.000000\n0.000000 3.837686 0.000000\n0.000000 0.000000 3.837686\nYb Ga O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Ga\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Yb",
"Ga",
"O"
],
"chemical_system": "Ga-O-Yb",
"density": 8.542347542519732,
"density_atomic": 0.08846300562054289,
"volume": 56.52080171735539,
"volume_molar": 6.807524476199279,
"formula_full": "Yb1 Ga1 O3",
"formula_reduced": "YbGaO3",
"formula_anonymous": "ABC3",
"energy": -31.75862641,
"energy_per_atom": -6.351725282,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.69762641,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.998074,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:48.497000Z",
"spacegroup": 221
}
]
}