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"structure_string": "Nd3 Ho1 Zr4 O14\n1.0\n6.539802 0.001553 3.770830\n2.179243 6.166029 3.770830\n0.002195 0.001553 7.549051\nNd Ho Zr O\n3 1 4 14\ndirect\n-0.000001 0.500000 0.500000 Nd\n0.500000 0.500000 0.000000 Nd\n0.500000 -0.000000 0.500000 Nd\n0.499999 0.500000 0.500000 Ho\n0.000000 0.000000 0.000000 Zr\n0.500000 -0.000000 0.000000 Zr\n-0.000000 -0.000000 0.500000 Zr\n-0.000000 0.500000 0.000000 Zr\n0.086365 0.086365 0.663667 O\n0.663880 0.663880 0.089086 O\n0.663666 0.086365 0.086365 O\n0.089085 0.663880 0.663881 O\n0.336119 0.910914 0.336120 O\n0.913634 0.336333 0.913636 O\n0.910914 0.336119 0.336120 O\n0.336119 0.336119 0.910915 O\n0.336333 0.913635 0.913635 O\n0.086365 0.663666 0.086365 O\n0.620240 0.620241 0.620241 O\n0.379759 0.379759 0.379759 O\n0.913634 0.913635 0.336334 O\n0.663880 0.089085 0.663881 O\n",
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"structure_string": "Ce8 S8 Cl4 O2\n1.0\n9.251590 -0.038560 0.000000\n-4.743774 7.942922 0.000000\n-0.000000 -0.000000 6.915962\nCe S Cl O\n8 8 4 2\ndirect\n0.317781 0.682219 0.710503 Ce\n0.682219 0.317781 0.210504 Ce\n0.195418 0.804582 0.263305 Ce\n0.192817 0.391861 0.244177 Ce\n0.608139 0.807183 0.244177 Ce\n0.804582 0.195418 0.763305 Ce\n0.807183 0.608138 0.744177 Ce\n0.391862 0.192817 0.744177 Ce\n0.869771 0.130229 0.140785 S\n0.130230 0.869770 0.640785 S\n0.948455 0.469846 0.479005 S\n0.530154 0.051545 0.479005 S\n0.051545 0.530154 0.979005 S\n0.469846 0.948454 0.979005 S\n0.461117 0.538883 0.958052 S\n0.538883 0.461117 0.458052 S\n0.132179 0.263374 0.639861 Cl\n0.736626 0.867821 0.639861 Cl\n0.867821 0.736625 0.139861 Cl\n0.263374 0.132179 0.139861 Cl\n0.334068 0.665932 0.365167 O\n0.665933 0.334067 0.865167 O\n",
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"structure_string": "Ho4 Fe2 Sb2 O14\n1.0\n6.243329 -0.008221 -3.511007\n-2.076540 5.818675 -3.624555\n0.010373 0.008221 7.162836\nHo Fe Sb O\n4 2 2 14\ndirect\n0.500000 0.000000 -0.000000 Ho\n0.500000 0.500000 0.499999 Ho\n0.500000 -0.000000 0.500000 Ho\n0.000000 0.000000 0.000000 Ho\n-0.000000 0.500000 -0.000001 Fe\n-0.000000 -0.000000 0.500000 Fe\n-0.000000 0.499999 0.499999 Sb\n0.500000 0.500000 -0.000001 Sb\n0.669575 0.415985 0.831557 O\n0.084428 0.838017 0.668441 O\n0.669576 0.838018 0.253589 O\n0.084429 0.415985 0.246409 O\n0.661580 0.411584 0.249999 O\n0.078001 0.828001 0.249999 O\n0.915571 0.584014 0.753590 O\n0.915571 0.161982 0.331557 O\n0.330424 0.161982 0.746410 O\n0.625265 0.875265 0.749999 O\n0.338420 0.588415 0.749999 O\n0.921998 0.171999 0.750000 O\n0.330424 0.584014 0.168442 O\n0.374734 0.124734 0.250000 O\n",
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"created_at": "2022-09-04T14:38:51.121881Z",
"updated_at": "2022-09-04T14:38:51.121916Z",
"structure_string": "Li2 Mn4 B4 O12\n1.0\n5.149711 0.001980 0.089847\n2.450512 4.529182 -0.090201\n0.084727 -0.141665 10.405046\nLi Mn B O\n2 4 4 12\ndirect\n0.513683 0.545527 0.255792 Li\n0.454439 0.486345 0.755814 Li\n0.951774 0.714963 0.625534 Mn\n0.015749 0.317169 0.386456 Mn\n0.285048 0.048222 0.125531 Mn\n0.682829 0.984259 0.886460 Mn\n0.004435 0.361461 0.877227 B\n0.638535 0.995560 0.377221 B\n0.329060 0.036502 0.634659 B\n0.963506 0.670943 0.134658 B\n0.299942 0.791307 0.641093 O\n0.208709 0.700041 0.141080 O\n0.941355 0.438661 0.196091 O\n0.561338 0.058656 0.696093 O\n0.406293 0.973301 0.315801 O\n0.138127 0.281514 0.567311 O\n0.829282 0.750738 0.444725 O\n0.249260 0.170692 0.944724 O\n0.718484 0.861896 0.067321 O\n0.667773 0.240660 0.370575 O\n0.026698 0.593699 0.815808 O\n0.759323 0.332245 0.870590 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.2105658787105296,
"density_atomic": 0.09071974389322378,
"volume": 242.505093774226,
"volume_molar": 6.638180953297222,
"formula_full": "Li2 Mn4 B4 O12",
"formula_reduced": "LiMn2(BO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 3.3914873317659358,
"spacegroup": 15
}
]
}