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"structure_string": "Na4 Cl4 O16\n1.0\n5.483208 -0.000000 0.000000\n-0.000000 7.057569 0.000000\n0.000000 0.000000 7.803146\nNa Cl O\n4 4 16\ndirect\n0.750000 0.192764 0.804559 Na\n0.750000 0.307236 0.304559 Na\n0.250000 0.807236 0.195441 Na\n0.250000 0.692764 0.695442 Na\n0.750000 0.821481 0.448551 Cl\n0.750000 0.678519 0.948552 Cl\n0.250000 0.178519 0.551449 Cl\n0.250000 0.321481 0.051449 Cl\n0.250000 0.447281 0.199152 O\n0.750000 0.947281 0.300848 O\n0.467586 0.298290 0.557178 O\n0.750000 0.929670 0.605890 O\n0.250000 0.070330 0.394110 O\n0.967586 0.701710 0.442823 O\n0.250000 0.052719 0.699152 O\n0.250000 0.429670 0.894110 O\n0.032414 0.298290 0.557178 O\n0.467586 0.201710 0.057177 O\n0.967586 0.798290 0.942823 O\n0.532414 0.798290 0.942823 O\n0.032414 0.201710 0.057177 O\n0.750000 0.570330 0.105890 O\n0.750000 0.552719 0.800848 O\n0.532414 0.701710 0.442823 O\n",
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"created_at": "2022-09-04T14:36:34.965211Z",
"updated_at": "2022-09-04T14:36:34.965238Z",
"structure_string": "Mg3 Mn1\n1.0\n6.083047 -0.073348 0.000000\n-1.552521 2.689047 0.000000\n0.000000 0.000000 4.850114\nMg Mn\n3 1\ndirect\n0.669148 0.669148 0.250000 Mg\n0.318947 0.318946 0.749999 Mg\n0.840090 0.340089 0.749999 Mg\n0.171816 0.671816 0.250000 Mn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Mn"
],
"chemical_system": "Mg-Mn",
"density": 2.6947755534050364,
"density_atomic": 0.05077178319787436,
"volume": 78.7839179177671,
"volume_molar": 11.86119608312699,
"formula_full": "Mg3 Mn1",
"formula_reduced": "Mg3Mn",
"formula_anonymous": "AB3",
"energy_above_hull": 0.6807610344827588,
"spacegroup": 25
}
]
}