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{
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"created_at": "2022-09-04T14:38:52.913558Z",
"updated_at": "2022-09-04T14:38:52.913594Z",
"structure_string": "Sr4 Zr3 Ti1 O12\n1.0\n5.762668 0.002107 0.003230\n0.003942 5.773380 0.002559\n0.001000 0.003594 8.173257\nSr Zr Ti O\n4 3 1 12\ndirect\n0.503347 0.024836 0.757614 Sr\n0.997074 0.521774 0.758053 Sr\n0.496653 0.975164 0.242387 Sr\n0.002926 0.478226 0.241947 Sr\n-0.000000 -0.000000 0.500000 Zr\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.000000 Ti\n0.202912 0.702463 0.464673 O\n0.276405 0.237619 0.030386 O\n0.238307 0.723550 0.032275 O\n0.297768 0.202947 0.467452 O\n0.797088 0.297537 0.535328 O\n0.066473 0.984187 0.751088 O\n0.933527 0.015813 0.248913 O\n0.560363 0.509924 0.241084 O\n0.702232 0.797052 0.532549 O\n0.439637 0.490076 0.758916 O\n0.723595 0.762381 0.969614 O\n0.761693 0.276450 0.967725 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Zr",
"Ti",
"O"
],
"chemical_system": "O-Sr-Ti-Zr",
"density": 5.276185983580244,
"density_atomic": 0.0735497702231374,
"volume": 271.92471083626,
"volume_molar": 8.187844423891274,
"formula_full": "Sr4 Zr3 Ti1 O12",
"formula_reduced": "Sr4Zr3TiO12",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 2.569561453666667,
"spacegroup": 2
}
]
}