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{
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{
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"structure_string": "Ce6 Pa2\n1.0\n3.252989 -5.634342 0.000000\n3.252989 5.634342 0.000000\n0.000000 0.000000 5.665678\nCe Pa\n6 2\ndirect\n0.830243 0.169757 0.750000 Ce\n0.339515 0.169757 0.750000 Ce\n0.830243 0.660485 0.750000 Ce\n0.169757 0.830243 0.250000 Ce\n0.660485 0.830243 0.250000 Ce\n0.169757 0.339515 0.250000 Ce\n0.666667 0.333333 0.250000 Pa\n0.333333 0.666667 0.750000 Pa\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ce",
"Pa"
],
"chemical_system": "Ce-Pa",
"density": 10.416178561782246,
"density_atomic": 0.03851964743249365,
"volume": 207.68622075319195,
"volume_molar": 15.633945691101939,
"formula_full": "Ce6 Pa2",
"formula_reduced": "Ce3Pa",
"formula_anonymous": "AB3",
"energy": -53.71306345,
"energy_per_atom": -6.71413293125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.71306345,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027937,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:54.380000Z",
"spacegroup": 194
}
]
}