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"structure_string": "In6 Te3 O18\n1.0\n4.515111 -7.820402 -0.000000\n4.515111 7.820402 0.000000\n-0.000000 -0.000000 4.871264\nIn Te O\n6 3 18\ndirect\n0.000000 0.630145 0.000000 In\n0.369855 0.369855 0.000000 In\n0.630145 0.000000 0.000000 In\n0.000000 0.293530 0.500000 In\n0.706470 0.706470 0.500000 In\n0.293530 0.000000 0.500000 In\n0.333333 0.666667 0.509039 Te\n0.666667 0.333333 0.490960 Te\n0.000000 0.000000 0.000000 Te\n0.589484 0.461416 0.265637 O\n0.761393 0.220827 0.716260 O\n0.220827 0.761393 0.283739 O\n0.540566 0.779173 0.283739 O\n0.238607 0.459434 0.283739 O\n0.538583 0.128068 0.265637 O\n0.871931 0.410516 0.265637 O\n0.461416 0.589484 0.734362 O\n0.206231 0.120471 0.221149 O\n0.410516 0.871931 0.734362 O\n0.914239 0.793769 0.221149 O\n0.459434 0.238607 0.716260 O\n0.879529 0.085761 0.221149 O\n0.085761 0.879529 0.778850 O\n0.793769 0.914239 0.778850 O\n0.120471 0.206231 0.778850 O\n0.128068 0.538583 0.734362 O\n0.779173 0.540566 0.716260 O\n",
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"density": 6.160717635932042,
"density_atomic": 0.04071624760353775,
"volume": 343.8430804410269,
"volume_molar": 14.790510212627623,
"formula_full": "Ba6 W2 N6",
"formula_reduced": "Ba3WN3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 3.56379538,
"spacegroup": 176
}
]
}