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"created_at": "2022-09-04T14:35:44.702762Z",
"updated_at": "2022-09-04T14:35:44.702787Z",
"structure_string": "Ba2 Co2 P4 O14\n1.0\n5.337110 0.079890 -0.132058\n-0.614607 7.115121 -1.501083\n-0.099164 -0.128155 7.620346\nBa Co P O\n2 2 4 14\ndirect\n0.795589 0.227201 0.071631 Ba\n0.204412 0.772798 0.928371 Ba\n0.202170 0.613344 0.395396 Co\n0.797829 0.386655 0.604606 Co\n0.707828 0.814319 0.598215 P\n0.292171 0.185680 0.401785 P\n0.294858 0.269354 0.788439 P\n0.705141 0.730646 0.211561 P\n0.461894 0.603526 0.201916 O\n0.295888 0.152479 0.930423 O\n0.704113 0.847520 0.069578 O\n0.564903 0.267842 0.396735 O\n0.060222 0.384706 0.800692 O\n0.270949 0.123341 0.592805 O\n0.729052 0.876659 0.407196 O\n0.892836 0.654077 0.589067 O\n0.107163 0.345922 0.410933 O\n0.211381 0.017070 0.255097 O\n0.788620 0.982928 0.744903 O\n0.435098 0.732158 0.603265 O\n0.939779 0.615293 0.199309 O\n0.538105 0.396473 0.798085 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Ba",
"Co",
"P",
"O"
],
"chemical_system": "Ba-Co-O-P",
"density": 4.259659346569766,
"density_atomic": 0.07622157422526658,
"volume": 288.6321913921748,
"volume_molar": 7.9008349292315305,
"formula_full": "Ba2 Co2 P4 O14",
"formula_reduced": "BaCoP2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.630716579090909,
"spacegroup": 2
}
]
}