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{
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"energy_uncorrected": -52.51962307,
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"total_magnetization": 7.35e-05,
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"updated_at": "2021-11-28T01:36:08.025000Z",
"spacegroup": 148
},
{
"id": "mp-771975",
"created_at": "2022-09-04T14:42:50.130648Z",
"structure_string": "Na6 Tb3 O9\n1.0\n5.852041 0.000000 0.000000\n2.850072 5.186718 0.000000\n2.690766 1.839742 8.274005\nNa Tb O\n6 3 9\ndirect\n0.716028 0.051668 0.333959 Na\n0.826054 0.847806 0.000720 Na\n0.173946 0.152194 0.999280 Na\n0.391809 0.724978 0.333748 Na\n0.283972 0.948332 0.666041 Na\n0.608191 0.275022 0.666252 Na\n0.500000 0.500000 0.000000 Tb\n0.045023 0.375324 0.333031 Tb\n0.954977 0.624676 0.666969 Tb\n0.136227 0.728008 0.162833 O\n0.863773 0.271992 0.837167 O\n0.231251 0.557779 0.829489 O\n0.419157 0.151068 0.168556 O\n0.580843 0.848932 0.831444 O\n0.282814 0.353512 0.506241 O\n0.768749 0.442221 0.170511 O\n0.717186 0.646488 0.493759 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
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"Tb",
"O"
],
"chemical_system": "Na-O-Tb",
"density": 5.016591176698133,
"density_atomic": 0.07167318924550739,
"volume": 251.13993376718997,
"volume_molar": 8.402222397794974,
"formula_full": "Na6 Tb3 O9",
"formula_reduced": "Na2TbO3",
"formula_anonymous": "AB2C3",
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"energy_per_atom": -6.129543336666669,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:51.299000Z",
"spacegroup": 2
},
{
"id": "mp-37334",
"created_at": "2022-09-04T14:42:50.138018Z",
"structure_string": "Li6 Mn2 P4\n1.0\n3.962685 0.000000 0.000000\n0.000000 3.962685 0.000000\n0.000000 0.000000 11.203649\nLi Mn P\n6 2 4\ndirect\n0.500000 0.500000 0.750730 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.749270 Li\n0.000000 0.000000 0.250730 Li\n0.500000 0.500000 0.000000 Li\n0.500000 0.500000 0.249270 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.105271 P\n0.000000 0.500000 0.605271 P\n0.500000 0.000000 0.894729 P\n0.500000 0.000000 0.394729 P\n",
"nsites": 12,
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"elements": [
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"P"
],
"chemical_system": "Li-Mn-P",
"density": 2.5995696756897253,
"density_atomic": 0.0682091519279723,
"volume": 175.92947076474127,
"volume_molar": 8.82893363981314,
"formula_full": "Li6 Mn2 P4",
"formula_reduced": "Li3MnP2",
"formula_anonymous": "AB2C3",
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"total_magnetization": 7.1891957,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.002000Z",
"spacegroup": 137
}
]
}