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{
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{
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{
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"created_at": "2022-09-04T14:46:08.911519Z",
"structure_string": "K1 Sr1 Sm1 W1 O6\n1.0\n-0.000000 -4.247153 -4.247153\n4.247153 0.000000 -4.247153\n4.247153 -4.247153 0.000000\nK Sr Sm W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 W\n0.729975 0.270025 0.270025 O\n0.270025 0.729975 0.729975 O\n0.729975 0.270025 0.729975 O\n0.270025 0.729975 0.270025 O\n0.729975 0.729975 0.270025 O\n0.270025 0.270025 0.729975 O\n",
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{
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"structure_string": "La2 Zn2 Fe2 Sn2 O12\n1.0\n5.653797 0.000000 0.000000\n0.000000 5.445022 0.000000\n0.000000 5.365362 7.948508\nLa Zn Fe Sn O\n2 2 2 2 12\ndirect\n0.290832 0.236412 0.750605 La\n0.709168 0.236412 0.250605 La\n0.781571 0.766513 0.755842 Zn\n0.218429 0.766513 0.255842 Zn\n0.755096 0.997584 0.002017 Fe\n0.244904 0.997584 0.502017 Fe\n0.757857 0.499334 0.502147 Sn\n0.242143 0.499334 0.002147 Sn\n0.278537 0.394079 0.250651 O\n0.442054 0.123381 0.063986 O\n0.447625 0.755039 0.438162 O\n0.552375 0.755039 0.938162 O\n0.557946 0.123381 0.563986 O\n0.721463 0.394079 0.750651 O\n0.796940 0.657122 0.246868 O\n0.983426 0.850219 0.430395 O\n0.961751 0.220318 0.059326 O\n0.038249 0.220318 0.559326 O\n0.016574 0.850219 0.930395 O\n0.203060 0.657122 0.746868 O\n",
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{
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],
"chemical_system": "Co-F-Na-O-Se",
"density": 3.1744733445842477,
"density_atomic": 0.06929563589406205,
"volume": 288.61846409167305,
"volume_molar": 8.690505083475305,
"formula_full": "Na2 Co2 Se2 O12 F2",
"formula_reduced": "NaCoSeO6F",
"formula_anonymous": "ABCDE6",
"energy": -108.41323223,
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"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -95.96923223000002,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:25.254000Z",
"spacegroup": 11
},
{
"id": "mp-1518158",
"created_at": "2022-09-04T14:46:08.157509Z",
"structure_string": "Ca1 Eu1 Nb1 W1 O6\n1.0\n-0.000000 -4.102038 -4.102038\n4.102038 -0.000000 -4.102038\n4.102038 -4.102038 -0.000000\nCa Eu Nb W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Eu\n0.000000 -0.000000 -0.000000 Nb\n0.500000 0.500000 0.500000 W\n0.755928 0.244072 0.244072 O\n0.244072 0.755928 0.755928 O\n0.755928 0.244072 0.755928 O\n0.244072 0.755928 0.244072 O\n0.755928 0.755928 0.244072 O\n0.244072 0.244072 0.755928 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
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"Eu",
"Nb",
"W",
"O"
],
"chemical_system": "Ca-Eu-Nb-O-W",
"density": 6.793648123056043,
"density_atomic": 0.07243875319213049,
"volume": 138.04765487165187,
"volume_molar": 8.313424092249873,
"formula_full": "Ca1 Eu1 Nb1 W1 O6",
"formula_reduced": "CaEuNbWO6",
"formula_anonymous": "ABCDE6",
"energy": -92.89103736,
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"energy_uncorrected": -84.33103736,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:23.501000Z",
"spacegroup": 216
}
]
}