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"structure_string": "Cr6 H2 O16\n1.0\n3.586981 0.000000 0.000000\n0.000000 5.893374 -2.990170\n0.000000 -3.400555 14.703782\nCr H O\n6 2 16\ndirect\n0.250000 0.683534 0.920000 Cr\n0.750000 0.316466 0.080000 Cr\n0.750000 -0.152874 0.811151 Cr\n0.250000 0.152875 0.188849 Cr\n0.250000 0.616559 0.461011 Cr\n0.750000 0.383441 0.538988 Cr\n0.250000 0.896996 0.250433 H\n0.750000 0.103004 0.749567 H\n0.250000 0.475911 0.541272 O\n0.750000 0.524089 0.458728 O\n0.750000 0.476584 0.672624 O\n0.750000 0.198039 0.169857 O\n0.250000 0.797468 0.060059 O\n0.750000 0.072738 0.447620 O\n0.250000 0.801961 0.830143 O\n0.250000 0.523416 0.327376 O\n0.250000 0.370974 0.833642 O\n0.750000 -0.084151 0.714606 O\n0.750000 0.202532 0.939940 O\n0.750000 0.629026 0.166358 O\n0.250000 0.927262 0.552380 O\n0.250000 0.226736 0.075343 O\n0.750000 0.773264 0.924657 O\n0.250000 0.084152 0.285394 O\n",
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"created_at": "2022-09-04T14:37:08.416389Z",
"updated_at": "2022-09-04T14:37:08.416411Z",
"structure_string": "Sr2 Li2 Nb4 O13\n1.0\n0.000000 3.999658 -0.000000\n1.999828 -1.999828 17.151040\n3.999658 0.000000 0.000000\nSr Li Nb O\n2 2 4 13\ndirect\n0.617475 0.234948 0.382526 Sr\n0.382526 0.765052 0.617475 Sr\n0.250000 0.500000 0.250000 Li\n0.750000 0.500000 0.750001 Li\n0.943373 0.886747 0.056627 Nb\n0.820469 0.640939 0.179532 Nb\n0.056627 0.113253 0.943374 Nb\n0.179532 0.359061 0.820469 Nb\n0.563294 0.126586 0.936707 O\n0.673700 0.347400 0.826301 O\n0.235006 0.470014 0.764995 O\n0.117634 0.235268 0.882366 O\n0.882366 0.764732 0.117635 O\n0.173700 0.347400 0.326301 O\n0.436706 0.873414 0.063294 O\n0.326300 0.652600 0.173700 O\n0.936707 0.873414 0.563294 O\n0.063293 0.126586 0.436707 O\n0.000000 0.000000 0.000000 O\n0.764994 0.529986 0.235006 O\n0.826300 0.652600 0.673700 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Sr",
"Li",
"Nb",
"O"
],
"chemical_system": "Li-Nb-O-Sr",
"density": 4.652562798032491,
"density_atomic": 0.07653905922249563,
"volume": 274.3697167606142,
"volume_molar": 7.868062164827379,
"formula_full": "Sr2 Li2 Nb4 O13",
"formula_reduced": "Sr2Li2Nb4O13",
"formula_anonymous": "A2B2C4D13",
"energy_above_hull": 3.096863129523809,
"spacegroup": 139
}
]
}