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"created_at": "2022-09-04T14:36:00.842979Z",
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"structure_string": "Li1 Mn1 Co3 O8\n1.0\n5.727194 -0.056329 0.007768\n-0.053534 5.653538 0.046388\n2.689476 2.833968 4.086913\nLi Mn Co O\n1 1 3 8\ndirect\n0.500000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Co\n0.000001 0.500000 0.500000 Co\n0.000001 0.000000 0.500000 Co\n0.206197 0.737924 0.029471 O\n0.200111 0.237248 0.037136 O\n0.200019 0.736995 0.536977 O\n0.206198 0.235668 0.531728 O\n0.793803 0.764333 0.468272 O\n0.799981 0.263006 0.463024 O\n0.799889 0.762753 0.962864 O\n0.793803 0.262076 0.970529 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.632413352775328,
"density_atomic": 0.09890577372845054,
"volume": 131.4382316617024,
"volume_molar": 6.088765633171234,
"formula_full": "Li1 Mn1 Co3 O8",
"formula_reduced": "LiMnCo3O8",
"formula_anonymous": "ABC3D8",
"energy_above_hull": 3.1120875339522542,
"spacegroup": 12
},
{
"id": "jvasp-89884",
"created_at": "2022-09-04T14:35:48.625120Z",
"updated_at": "2022-09-04T14:35:48.625156Z",
"structure_string": "Na4 P4 Pd2 O14\n1.0\n5.928572 0.000000 -0.000000\n-2.964287 6.713423 -2.915520\n-0.000000 0.057030 7.822671\nNa P Pd O\n4 4 2 14\ndirect\n0.354314 0.448836 0.801495 Na\n0.905476 0.551164 0.698505 Na\n0.645685 0.551164 0.198505 Na\n0.094523 0.448836 0.301495 Na\n0.755397 0.212210 0.840161 P\n0.543187 0.787790 0.659838 P\n0.244602 0.787790 0.159839 P\n0.456812 0.212210 0.340161 P\n0.000000 0.000000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n0.332314 0.622764 0.107676 O\n0.709550 0.377236 0.392323 O\n0.879290 0.211465 0.013384 O\n0.521174 0.000000 0.750000 O\n0.478826 0.000000 0.250000 O\n0.701907 0.774429 0.809186 O\n0.927478 0.225571 0.690814 O\n0.298092 0.225571 0.190814 O\n0.072521 0.774429 0.309186 O\n0.332175 0.211465 0.513384 O\n0.120709 0.788534 0.986616 O\n0.667824 0.788534 0.486616 O\n0.290449 0.622764 0.607676 O\n0.667685 0.377236 0.892323 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Pd",
"O"
],
"chemical_system": "Na-O-P-Pd",
"density": 3.470013798174017,
"density_atomic": 0.07684033182172266,
"volume": 312.33597553537936,
"volume_molar": 7.837213371191545,
"formula_full": "Na4 P4 Pd2 O14",
"formula_reduced": "Na2P2PdO7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 2.176189933333333,
"spacegroup": 15
}
]
}