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"structure_string": "Ba4 Sr4 Eu4 Nb4 O24\n1.0\n8.522197 0.000000 0.000000\n0.000000 8.524025 0.000000\n0.000000 0.000000 8.541478\nBa Sr Eu Nb O\n4 4 4 4 24\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 -0.000000 0.000000 Ba\n-0.000000 -0.000000 0.500000 Ba\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.500000 0.000000 Sr\n0.749092 0.747381 0.749727 Eu\n0.250908 0.252619 0.749727 Eu\n0.250908 0.747381 0.250273 Eu\n0.749092 0.252619 0.250273 Eu\n0.249514 0.253671 0.250723 Nb\n0.750486 0.746329 0.250723 Nb\n0.750486 0.253671 0.749277 Nb\n0.249514 0.746329 0.749277 Nb\n0.016365 0.224289 0.276159 O\n0.983635 0.775711 0.276159 O\n0.983635 0.224289 0.723841 O\n0.016365 0.775711 0.723841 O\n0.273508 0.018488 0.221965 O\n0.273508 0.981512 0.778035 O\n0.726492 0.981512 0.221965 O\n0.726492 0.018488 0.778035 O\n0.214798 0.285453 0.017095 O\n0.785202 0.285453 0.982905 O\n0.214798 0.714547 0.982905 O\n0.785202 0.714547 0.017095 O\n0.481543 0.291053 0.213377 O\n0.518457 0.708947 0.213377 O\n0.518457 0.291053 0.786623 O\n0.481543 0.708947 0.786623 O\n0.215027 0.483384 0.292836 O\n0.215027 0.516616 0.707164 O\n0.784973 0.516616 0.292836 O\n0.784973 0.483384 0.707164 O\n0.290876 0.217622 0.481921 O\n0.709124 0.217622 0.518079 O\n0.290876 0.782378 0.518079 O\n0.709124 0.782378 0.481921 O\n",
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"nelements": 5,
"elements": [
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"O"
],
"chemical_system": "Ba-Eu-Nb-O-Sr",
"density": 6.056940374196064,
"density_atomic": 0.06446599360118273,
"volume": 620.4821761913577,
"volume_molar": 9.341577510238691,
"formula_full": "Ba4 Sr4 Eu4 Nb4 O24",
"formula_reduced": "BaSrEuNbO6",
"formula_anonymous": "ABCDE6",
"energy": -343.21757495,
"energy_per_atom": -8.58043937375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -326.72957495,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 23.9999992,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.313000Z",
"spacegroup": 16
},
{
"id": "mp-1519408",
"created_at": "2022-09-04T14:41:12.854554Z",
"structure_string": "Sr1 Ca1 Tb1 Co1 O6\n1.0\n0.000000 -4.031356 -4.031356\n4.031356 -0.000000 -4.031356\n4.031356 -4.031356 0.000000\nSr Ca Tb Co O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Tb\n0.000000 -0.000000 0.000000 Co\n0.770829 0.229171 0.229171 O\n0.229171 0.770829 0.770829 O\n0.770829 0.229171 0.770829 O\n0.229171 0.770829 0.229171 O\n0.770829 0.770829 0.229171 O\n0.229171 0.229171 0.770829 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
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"Ca",
"Tb",
"Co",
"O"
],
"chemical_system": "Ca-Co-O-Sr-Tb",
"density": 5.595622827839451,
"density_atomic": 0.07631616706975786,
"volume": 131.0338344280231,
"volume_molar": 7.891041952480893,
"formula_full": "Sr1 Ca1 Tb1 Co1 O6",
"formula_reduced": "SrCaTbCoO6",
"formula_anonymous": "ABCDE6",
"energy": -70.13761257,
"energy_per_atom": -7.0137612570000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.37761257,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0000009,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.482000Z",
"spacegroup": 216
}
]
}