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"structure_string": "Ca2 B4 H16\n1.0\n-2.924649 2.924649 6.364967\n2.924649 -2.924649 6.364967\n2.924649 2.924649 -6.364967\nCa B H\n2 4 16\ndirect\n0.000000 0.000000 0.000000 Ca\n0.750000 0.250000 0.500000 Ca\n0.228192 0.228192 0.000000 B\n0.771808 0.771808 0.000000 B\n0.521808 0.021808 0.500000 B\n0.978192 0.478192 0.500000 B\n0.591882 0.077272 0.738325 H\n0.338947 0.853558 0.261675 H\n0.827272 0.841882 0.238325 H\n0.603558 0.588947 0.761675 H\n0.411053 0.172728 0.014610 H\n0.158118 0.396442 0.985390 H\n0.785411 0.320558 0.258360 H\n0.472951 0.214590 0.535149 H\n0.679442 0.937803 0.464852 H\n0.922729 0.661053 0.514610 H\n0.687802 0.929442 0.964852 H\n0.964590 0.722951 0.035149 H\n0.277049 0.312198 0.241640 H\n0.070558 0.035410 0.758360 H\n0.062198 0.527049 0.741640 H\n0.146442 0.408118 0.485390 H\n",
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"structure_string": "Li4 Mn5 Nb1 O12\n1.0\n5.049160 0.210842 -0.447182\n-2.353135 4.472274 -0.447182\n-0.860487 -1.494704 10.359292\nLi Mn Nb O\n4 5 1 12\ndirect\n0.292270 0.638332 0.730561 Li\n0.361669 0.707730 0.269440 Li\n0.638332 0.292270 0.730560 Li\n0.707730 0.361668 0.269440 Li\n0.164819 0.835181 0.500000 Mn\n0.335490 0.664510 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.664511 0.335489 0.000000 Mn\n0.835181 0.164819 0.500000 Mn\n0.000000 0.000000 0.000000 Nb\n0.857214 0.515285 0.610339 O\n0.484715 0.142786 0.389661 O\n0.764744 0.764744 0.401654 O\n0.596997 0.596997 0.894063 O\n0.403003 0.403003 0.105937 O\n0.109767 0.758108 0.112322 O\n0.515286 0.857214 0.610339 O\n0.142786 0.484715 0.389661 O\n0.241892 0.890234 0.887678 O\n0.758109 0.109766 0.112322 O\n0.235256 0.235256 0.598346 O\n0.890234 0.241892 0.887678 O\n",
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"created_at": "2022-09-04T14:35:52.588779Z",
"updated_at": "2022-09-04T14:35:52.588809Z",
"structure_string": "Li3 V1 Cr1 P4 O14\n1.0\n4.942688 -0.007049 0.022689\n-2.258042 6.635253 -0.010769\n-0.021402 -0.078883 8.180230\nLi V Cr P O\n3 1 1 4 14\ndirect\n0.829131 0.341626 0.137896 Li\n0.284692 0.092379 0.335758 Li\n0.167264 0.661842 0.648065 Li\n0.793840 0.277505 0.506680 V\n0.216066 0.727485 0.995185 Cr\n0.596348 0.477959 0.823477 P\n0.797105 0.913662 0.206607 P\n0.210744 0.082384 0.717254 P\n0.394673 0.522671 0.316375 P\n0.196828 0.497371 0.462993 O\n0.234780 0.512102 0.154853 O\n0.381753 0.593897 0.822596 O\n0.613603 0.912981 0.059327 O\n0.621678 0.745639 0.336620 O\n0.417798 0.241374 0.845943 O\n0.799113 0.525551 0.970498 O\n0.562530 0.371183 0.313060 O\n0.753526 0.499619 0.660156 O\n0.139444 0.879961 0.803198 O\n0.876632 0.113389 0.304280 O\n0.952288 0.147123 0.685081 O\n0.383126 0.080125 0.559295 O\n0.082668 0.877266 0.173699 O\n",
"nsites": 23,
"nelements": 5,
"elements": [
"Li",
"V",
"Cr",
"P",
"O"
],
"chemical_system": "Cr-Li-O-P-V",
"density": 2.9206940817296223,
"density_atomic": 0.08577238858659052,
"volume": 268.15156228021584,
"volume_molar": 7.0210715350668105,
"formula_full": "Li3 V1 Cr1 P4 O14",
"formula_reduced": "Li3VCr(P2O7)2",
"formula_anonymous": "ABC3D4E14",
"energy_above_hull": 3.04739967826087,
"spacegroup": 1
}
]
}