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"structure_string": "Ba6 Na2 Ir2 O12\n1.0\n7.123308 -0.003472 -0.195872\n-0.201236 7.120466 -0.195872\n-0.003378 -0.003472 7.125999\nBa Na Ir O\n6 2 2 12\ndirect\n0.893404 0.606596 0.250000 Ba\n0.249999 0.893405 0.606596 Ba\n0.606595 0.250001 0.893405 Ba\n0.106595 0.393405 0.750000 Ba\n0.750000 0.106596 0.393405 Ba\n0.393404 0.750001 0.106596 Ba\n0.750000 0.750001 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500001 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.949461 0.267447 0.083238 O\n0.767446 0.449462 0.583238 O\n0.416762 0.232554 0.550539 O\n0.550539 0.416762 0.232554 O\n0.232554 0.550539 0.416762 O\n0.732554 0.916763 0.050539 O\n0.050538 0.732555 0.916762 O\n0.916762 0.050539 0.732554 O\n0.583238 0.767447 0.449462 O\n0.449461 0.583239 0.767446 O\n0.083238 0.949462 0.267446 O\n0.267446 0.083239 0.949461 O\n",
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"created_at": "2022-09-04T14:37:03.016337Z",
"updated_at": "2022-09-04T14:37:03.016363Z",
"structure_string": "Na4 Te4 O14\n1.0\n6.362096 0.000000 3.665837\n2.235615 6.064774 3.473725\n0.009031 0.011204 7.337985\nNa Te O\n4 4 14\ndirect\n0.000000 -0.000000 0.500000 Na\n0.500000 -0.000000 0.500001 Na\n0.500000 -0.000000 0.000000 Na\n0.000001 0.499999 0.500001 Na\n0.000000 0.500000 0.000000 Te\n0.500001 0.499999 0.500001 Te\n0.000000 0.000000 0.000000 Te\n0.500001 0.500000 0.000000 Te\n0.581675 0.198348 0.638302 O\n0.418326 0.801651 0.361700 O\n0.918327 0.861698 0.301652 O\n0.670551 0.187251 0.054348 O\n0.250001 0.407259 0.092741 O\n0.412149 0.445652 0.312750 O\n0.170551 0.554347 0.687252 O\n0.087852 0.187251 0.054348 O\n0.329451 0.812748 0.945653 O\n0.587852 0.554347 0.687252 O\n0.829451 0.445652 0.312750 O\n0.912150 0.812748 0.945653 O\n0.750001 0.592740 0.907260 O\n0.081675 0.138301 0.698349 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Na",
"Te",
"O"
],
"chemical_system": "Na-O-Te",
"density": 4.852539820490001,
"density_atomic": 0.07779976837408976,
"volume": 282.7771914977426,
"volume_molar": 7.7405638678040045,
"formula_full": "Na4 Te4 O14",
"formula_reduced": "Na2Te2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 1.7783125484848483,
"spacegroup": 74
}
]
}