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{
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{
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{
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"spacegroup": 15
},
{
"id": "mp-2490",
"created_at": "2022-09-04T14:43:04.345334Z",
"structure_string": "Ga1 P1\n1.0\n0.000000 2.753150 2.753150\n2.753150 0.000000 2.753150\n2.753150 2.753150 0.000000\nGa P\n1 1\ndirect\n0.000000 0.000000 0.000000 Ga\n0.750000 0.750000 0.750000 P\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ga",
"P"
],
"chemical_system": "Ga-P",
"density": 4.006314014532294,
"density_atomic": 0.04791929045863817,
"volume": 41.73684503376176,
"volume_molar": 12.567257783581015,
"formula_full": "Ga1 P1",
"formula_reduced": "GaP",
"formula_anonymous": "AB",
"energy": -9.26107588,
"energy_per_atom": -4.63053794,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.26107588,
"band_gap": 1.6039,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017444,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:58.158000Z",
"spacegroup": 216
},
{
"id": "mp-1104307",
"created_at": "2022-09-04T14:43:04.392487Z",
"structure_string": "La6 Sb2 O6\n1.0\n0.000000 -4.118972 0.000000\n-6.960933 -2.059486 0.000000\n-1.042786 -2.059486 -10.883577\nLa Sb O\n6 2 6\ndirect\n0.380385 0.794594 0.444636 La\n0.619615 0.205406 0.555364 La\n0.372111 0.356736 0.899042 La\n0.627889 0.643264 0.100958 La\n0.845489 0.102287 0.206734 La\n0.154511 0.897713 0.793266 La\n0.877758 0.562405 0.682079 Sb\n0.122242 0.437595 0.317921 Sb\n0.810423 0.968468 0.410685 O\n0.189577 0.031532 0.589315 O\n0.563717 0.074002 0.798563 O\n0.436283 0.925998 0.201437 O\n0.838235 0.310907 0.012623 O\n0.161765 0.689093 0.987377 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"La",
"Sb",
"O"
],
"chemical_system": "La-O-Sb",
"density": 6.241663635171639,
"density_atomic": 0.044864216543656674,
"volume": 312.0527020989393,
"volume_molar": 13.423037832701139,
"formula_full": "La6 Sb2 O6",
"formula_reduced": "La3SbO3",
"formula_anonymous": "AB3C3",
"energy": -111.98176818,
"energy_per_atom": -7.998697727142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -107.47576818,
"band_gap": 0.7208999999999994,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018389,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:58.406000Z",
"spacegroup": 12
}
]
}