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            "id": "mp-1200655",
            "created_at": "2022-09-04T14:46:15.635600Z",
            "structure_string": "Bi2 H50 C16 S12 O24\n1.0\n9.810553 0.000000 0.000000\n-2.211458 10.220223 0.000000\n-0.938079 -4.851674 12.273737\nBi H C S O\n2 50 16 12 24\ndirect\n0.881848 0.883101 0.595712 Bi\n0.118152 0.116899 0.404288 Bi\n0.876377 0.683372 0.843338 H\n0.123623 0.316628 0.156662 H\n0.868849 0.510005 0.745150 H\n0.131151 0.489995 0.254850 H\n0.016773 0.600784 0.855549 H\n0.983227 0.399216 0.144451 H\n0.180688 0.594419 0.596444 H\n0.819312 0.405581 0.403556 H\n0.186462 0.549567 0.716959 H\n0.813538 0.450433 0.283041 H\n0.037878 0.460684 0.607213 H\n0.962122 0.539316 0.392787 H\n0.273604 0.134845 0.802466 H\n0.726396 0.865155 0.197534 H\n0.167534 0.197495 0.721035 H\n0.832466 0.802505 0.278965 H\n0.269679 0.316367 0.852246 H\n0.730321 0.683633 0.147754 H\n0.889879 0.299095 0.910140 H\n0.110121 0.700905 0.089860 H\n0.060290 0.405427 0.909832 H\n0.939710 0.594573 0.090168 H\n0.949874 0.289685 0.781620 H\n0.050126 0.710315 0.218380 H\n0.410190 0.884326 0.683444 H\n0.589810 0.115674 0.316556 H\n0.437404 0.777036 0.761482 H\n0.562596 0.222964 0.238518 H\n0.417292 0.953427 0.828523 H\n0.582708 0.046573 0.171477 H\n0.802103 0.976688 0.931735 H\n0.197897 0.023312 0.068265 H\n0.635118 0.006190 0.966695 H\n0.364882 0.993810 0.033305 H\n0.650307 0.827875 0.900030 H\n0.349693 0.172125 0.099970 H\n0.559743 0.893419 0.374172 H\n0.440257 0.106581 0.625828 H\n0.553440 0.726802 0.267298 H\n0.446560 0.273198 0.732702 H\n0.395514 0.760885 0.321713 H\n0.604486 0.239115 0.678287 H\n0.472071 0.468408 0.416510 H\n0.527929 0.531592 0.583490 H\n0.349399 0.522975 0.345098 H\n0.650601 0.477025 0.654902 H\n0.510483 0.494426 0.292253 H\n0.489517 0.505574 0.707747 H\n0.596274 0.502182 0.938094 H\n0.403726 0.497818 0.061906 H\n0.937473 0.612109 0.798582 C\n0.062527 0.387891 0.201418 C\n0.118141 0.559030 0.651831 C\n0.881859 0.440970 0.348169 C\n0.208846 0.208563 0.803678 C\n0.791154 0.791437 0.196322 C\n0.981307 0.305238 0.867110 C\n0.018693 0.694762 0.132890 C\n0.457230 0.884096 0.761053 C\n0.542770 0.115904 0.238947 C\n0.687449 0.938176 0.908086 C\n0.312551 0.061824 0.091914 C\n0.510473 0.780155 0.339744 C\n0.489527 0.219845 0.660256 C\n0.461598 0.530244 0.365621 C\n0.538402 0.469756 0.634379 C\n0.031799 0.693469 0.716208 S\n0.968201 0.306531 0.283792 S\n0.063706 0.169173 0.871551 S\n0.936294 0.830827 0.128449 S\n0.644431 0.954999 0.779501 S\n0.355569 0.045001 0.220499 S\n0.545236 0.712130 0.443695 S\n0.454764 0.287870 0.556305 S\n0.842933 0.147257 0.523595 S\n0.157067 0.852743 0.476405 S\n0.614327 0.354290 0.017645 S\n0.385673 0.645710 0.982355 S\n0.914626 0.680406 0.625335 O\n0.085374 0.319594 0.374665 O\n0.965069 0.029550 0.793853 O\n0.034931 0.970450 0.206147 O\n0.705133 0.716463 0.454065 O\n0.294867 0.283537 0.545935 O\n0.752540 0.034845 0.556205 O\n0.247460 0.965155 0.443795 O\n0.830012 0.099264 0.402945 O\n0.169988 0.900736 0.597055 O\n0.996075 0.158382 0.566573 O\n0.003925 0.841618 0.433427 O\n0.804909 0.280786 0.572902 O\n0.195091 0.719214 0.427098 O\n0.742917 0.339962 0.070780 O\n0.257083 0.660038 0.929220 O\n0.674305 0.461149 0.957719 O\n0.325695 0.538851 0.042281 O\n0.529245 0.427808 0.096333 O\n0.470755 0.572192 0.903667 O\n0.528704 0.223758 0.933972 O\n0.471296 0.776242 0.066028 O\n0.693487 0.837009 0.693851 O\n0.306513 0.162991 0.306149 O\n",
            "nsites": 104,
            "nelements": 5,
            "elements": [
                "Bi",
                "H",
                "C",
                "S",
                "O"
            ],
            "chemical_system": "Bi-C-H-O-S",
            "density": 1.9285911833130869,
            "density_atomic": 0.08450894225414976,
            "volume": 1230.6389977907118,
            "volume_molar": 7.126039682154804,
            "formula_full": "Bi2 H50 C16 S12 O24",
            "formula_reduced": "BiH25C8(SO2)6",
            "formula_anonymous": "AB6C8D12E25",
            "energy": -565.31837735,
            "energy_per_atom": -5.435753628365385,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -548.83037735,
            "band_gap": 3.9231,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.000106,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:25.404000Z",
            "spacegroup": 2
        }
    ]
}