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{
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{
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{
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{
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{
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{
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"formula_full": "Ta4 P4 O20",
"formula_reduced": "TaPO5",
"formula_anonymous": "ABC5",
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"energy_uncorrected": -241.36607927,
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"updated_at": "2021-11-28T01:36:32.815000Z",
"spacegroup": 11
},
{
"id": "mp-15844",
"created_at": "2022-09-04T14:41:32.495105Z",
"structure_string": "Ta2 P2 O10\n1.0\n6.515245 0.000000 0.000000\n0.000000 6.515245 0.000000\n0.000000 0.000000 4.049859\nTa P O\n2 2 10\ndirect\n0.500000 0.000000 0.235808 Ta\n0.000000 0.500000 0.764192 Ta\n0.000000 0.000000 0.500000 P\n0.500000 0.500000 0.500000 P\n0.194556 0.000000 0.284316 O\n0.500000 0.305444 0.284316 O\n0.000000 0.500000 0.215144 O\n0.500000 0.000000 0.784856 O\n0.500000 0.694556 0.284316 O\n0.805444 0.000000 0.284316 O\n0.694556 0.500000 0.715684 O\n0.000000 0.805444 0.715684 O\n0.000000 0.194556 0.715684 O\n0.305444 0.500000 0.715684 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
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"P",
"O"
],
"chemical_system": "O-P-Ta",
"density": 5.639485922130377,
"density_atomic": 0.08143791184870885,
"volume": 171.91010528374642,
"volume_molar": 7.394763229179577,
"formula_full": "Ta2 P2 O10",
"formula_reduced": "TaPO5",
"formula_anonymous": "ABC5",
"energy": -126.87240924,
"energy_per_atom": -9.062314945714286,
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"total_magnetization": 0.0007144,
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"updated_at": "2021-11-28T01:35:20.185000Z",
"spacegroup": 129
}
]
}