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{
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{
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{
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"O"
],
"chemical_system": "O-Pr-Ta",
"density": 8.212564811320584,
"density_atomic": 0.07802047731102653,
"volume": 692.1259887289648,
"volume_molar": 7.718666903296295,
"formula_full": "Pr2 Ta14 O38",
"formula_reduced": "PrTa7O19",
"formula_anonymous": "AB7C19",
"energy": -548.26247514,
"energy_per_atom": -10.153008798888889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -522.15647514,
"band_gap": 3.1645,
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"is_magnetic": false,
"total_magnetization": 0.0003543,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.671000Z",
"spacegroup": 188
},
{
"id": "mp-865707",
"created_at": "2022-09-04T14:43:14.252621Z",
"structure_string": "Ti1 Sn1 Rh2\n1.0\n0.000000 3.182407 3.182407\n3.182407 0.000000 3.182407\n3.182407 3.182407 0.000000\nTi Sn Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Sn\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Sn",
"Rh"
],
"chemical_system": "Rh-Sn-Ti",
"density": 9.592849175255795,
"density_atomic": 0.06205300712461648,
"volume": 64.46101785151355,
"volume_molar": 9.704833075867183,
"formula_full": "Ti1 Sn1 Rh2",
"formula_reduced": "TiSnRh2",
"formula_anonymous": "ABC2",
"energy": -29.26000346,
"energy_per_atom": -7.315000865,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.26000346,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0010296,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.966000Z",
"spacegroup": 225
}
]
}