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        {
            "id": "mp-1196871",
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            "structure_string": "K1 Cu24 Ag9 H48 Pb26 Cl62 O48\n1.0\n15.493606 0.000000 0.000000\n0.000000 15.493606 0.000000\n0.000000 0.000000 15.493606\nK Cu Ag H Pb Cl O\n1 24 9 48 26 62 48\ndirect\n0.500000 0.500000 0.500000 K\n0.094103 0.256090 0.743910 Cu\n0.256090 0.256090 0.905897 Cu\n0.256090 0.094103 0.743910 Cu\n0.094103 0.743910 0.256090 Cu\n0.256090 0.743910 0.094103 Cu\n0.256090 0.905897 0.256090 Cu\n0.905897 0.256090 0.256090 Cu\n0.743910 0.256090 0.094103 Cu\n0.743910 0.094103 0.256090 Cu\n0.905897 0.743910 0.743910 Cu\n0.743910 0.743910 0.905897 Cu\n0.743910 0.905897 0.743910 Cu\n0.905897 0.743910 0.256090 Cu\n0.743910 0.743910 0.094103 Cu\n0.743910 0.905897 0.256090 Cu\n0.905897 0.256090 0.743910 Cu\n0.743910 0.256090 0.905897 Cu\n0.743910 0.094103 0.743910 Cu\n0.094103 0.743910 0.743910 Cu\n0.256090 0.743910 0.905897 Cu\n0.256090 0.905897 0.743910 Cu\n0.094103 0.256090 0.256090 Cu\n0.256090 0.256090 0.094103 Cu\n0.256090 0.094103 0.256090 Cu\n0.000000 0.154920 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            "elements": [
                "K",
                "Cu",
                "Ag",
                "H",
                "Pb",
                "Cl",
                "O"
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            "chemical_system": "Ag-Cl-Cu-H-K-O-Pb",
            "density": 4.88288013812943,
            "density_atomic": 0.058613677495429624,
            "volume": 3719.2684253090665,
            "volume_molar": 10.274292652034287,
            "formula_full": "K1 Cu24 Ag9 H48 Pb26 Cl62 O48",
            "formula_reduced": "KCu24Ag9H48Pb26(Cl31O24)2",
            "formula_anonymous": "AB9C24D26E48F48G62",
            "energy": -1006.87757506,
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            "updated_at": "2021-11-28T01:34:56.947000Z",
            "spacegroup": 221
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        {
            "id": "mp-1195334",
            "created_at": "2022-09-04T14:47:17.586488Z",
            "structure_string": "K8 Cr4 H20 C16 S16 N16 O12\n1.0\n10.720997 0.000000 0.000000\n2.539154 12.733563 0.000000\n1.074910 5.041417 12.042690\nK Cr H C S N O\n8 4 20 16 16 16 12\ndirect\n0.820004 0.075372 0.858928 K\n0.179996 0.924628 0.141072 K\n0.276788 0.807585 0.673307 K\n0.723212 0.192415 0.326693 K\n0.458830 0.389569 0.835551 K\n0.541170 0.610431 0.164449 K\n0.029981 0.276851 0.520204 K\n0.970019 0.723149 0.479796 K\n0.396966 0.096439 0.513640 Cr\n0.603034 0.903561 0.486360 Cr\n0.106937 0.425898 0.958916 Cr\n0.893063 0.574102 0.041084 Cr\n0.522737 0.927334 0.667115 H\n0.477263 0.072666 0.332885 H\n0.896594 0.537965 0.862751 H\n0.103406 0.462035 0.137249 H\n0.043721 0.233895 0.788526 H\n0.956279 0.766105 0.211474 H\n0.921676 0.323823 0.743075 H\n0.078324 0.676177 0.256925 H\n0.992497 0.799493 0.689987 H\n0.007503 0.200507 0.310013 H\n0.023797 0.668122 0.756557 H\n0.976203 0.331878 0.243443 H\n0.485471 0.607032 0.621692 H\n0.514529 0.392968 0.378308 H\n0.359946 0.587883 0.588065 H\n0.640054 0.412117 0.411935 H\n0.602721 0.142455 0.013467 H\n0.397279 0.857545 0.986533 H\n0.520301 0.127580 0.930484 H\n0.479699 0.872420 0.069516 H\n0.289859 0.354041 0.345408 C\n0.710141 0.645959 0.654592 C\n0.177774 0.018283 0.422432 C\n0.822226 0.981717 0.577568 C\n0.283935 0.118100 0.733974 C\n0.716065 0.881900 0.266026 C\n0.576988 0.215220 0.596807 C\n0.423012 0.784780 0.403193 C\n0.949959 0.225424 0.030772 C\n0.050041 0.774576 0.969228 C\n0.316382 0.583930 0.922422 C\n0.683618 0.416070 0.077578 C\n0.162036 0.444873 0.707545 C\n0.837964 0.555127 0.292455 C\n0.307991 0.203259 0.090470 C\n0.692009 0.796741 0.909530 C\n0.249270 0.483720 0.257133 S\n0.750730 0.516280 0.742867 S\n0.068680 0.993524 0.361296 S\n0.931320 0.006476 0.638704 S\n0.270549 0.135545 0.849925 S\n0.729451 0.864455 0.150075 S\n0.647963 0.290637 0.638508 S\n0.352037 0.709363 0.361492 S\n0.886699 0.112066 0.088739 S\n0.113301 0.887934 0.911261 S\n0.431086 0.654132 0.902773 S\n0.568914 0.345868 0.097227 S\n0.181860 0.466808 0.577271 S\n0.818140 0.533192 0.422729 S\n0.389428 0.080259 0.163949 S\n0.610572 0.919741 0.836051 S\n0.320209 0.258997 0.410105 N\n0.679791 0.741003 0.589895 N\n0.256140 0.038444 0.467315 N\n0.743860 0.961556 0.532685 N\n0.290832 0.106628 0.647707 N\n0.709168 0.893372 0.352293 N\n0.527263 0.161600 0.562132 N\n0.472737 0.838400 0.437868 N\n0.995356 0.308530 0.986938 N\n0.004644 0.691470 0.013062 N\n0.232938 0.532037 0.933806 N\n0.767062 0.467963 0.066194 N\n0.150505 0.428361 0.803375 N\n0.849495 0.571639 0.196625 N\n0.249862 0.293090 0.034064 N\n0.750138 0.706910 0.965936 N\n0.478824 0.932541 0.601699 O\n0.521176 0.067459 0.398301 O\n0.961281 0.558738 0.896776 O\n0.038719 0.441262 0.103224 O\n0.965665 0.249028 0.746737 O\n0.034335 0.750972 0.253263 O\n0.040448 0.728875 0.684785 O\n0.959552 0.271125 0.315215 O\n0.400692 0.593172 0.649804 O\n0.599308 0.406828 0.350196 O\n0.589412 0.165683 0.933768 O\n0.410588 0.834317 0.066232 O\n",
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        {
            "id": "mp-1212630",
            "created_at": "2022-09-04T14:41:59.928457Z",
            "structure_string": "K2 Ba1 Na2 Ti4 Si8 W4 O28\n1.0\n7.162723 7.153710 0.000000\n-7.162723 7.153710 0.000000\n0.000000 3.846437 7.080434\nK Ba Na Ti Si W O\n2 1 2 4 8 4 28\ndirect\n0.208690 0.208690 0.966737 K\n0.018293 0.018293 0.619804 K\n0.559712 0.559712 0.576846 Ba\n0.755645 0.254747 0.253303 Na\n0.254747 0.755645 0.253303 Na\n0.858728 0.395283 0.770872 Ti\n0.395283 0.858728 0.770872 Ti\n0.139598 0.626649 0.768864 Ti\n0.626649 0.139598 0.768864 Ti\n0.945398 0.727729 0.488786 Si\n0.727729 0.945398 0.488786 Si\n0.202042 0.409521 0.535929 Si\n0.409521 0.202042 0.535929 Si\n0.048366 0.827286 0.039037 Si\n0.827286 0.048366 0.039037 Si\n0.315891 0.529456 0.089491 Si\n0.529456 0.315891 0.089491 Si\n0.947911 0.437242 0.326421 W\n0.437242 0.947911 0.326421 W\n0.805365 0.588680 0.024725 W\n0.588680 0.805365 0.024725 W\n0.291674 0.501705 0.311898 O\n0.501705 0.291674 0.311898 O\n0.875982 0.875982 0.485911 O\n0.245948 0.245948 0.582796 O\n0.244607 0.480851 0.665514 O\n0.480851 0.244607 0.665514 O\n0.084387 0.733781 0.544258 O\n0.733781 0.084387 0.544258 O\n0.965769 0.498433 0.861943 O\n0.498433 0.965769 0.861943 O\n0.682744 0.416856 0.983282 O\n0.416856 0.682744 0.983282 O\n0.036575 0.394674 0.557470 O\n0.394674 0.036575 0.557470 O\n0.406629 0.406629 0.022741 O\n0.973872 0.973872 0.015610 O\n0.165455 0.523489 0.058118 O\n0.523489 0.165455 0.058118 O\n0.877968 0.216848 0.950879 O\n0.216848 0.877968 0.950879 O\n0.756537 0.317800 0.651239 O\n0.317800 0.756537 0.651239 O\n0.008061 0.734857 0.264838 O\n0.734857 0.008061 0.264838 O\n0.998335 0.739268 0.929574 O\n0.739268 0.998335 0.929574 O\n0.827039 0.589026 0.601587 O\n0.589026 0.827039 0.601587 O\n",
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            "volume": 725.6034873944491,
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        {
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        {
            "id": "mp-1203926",
            "created_at": "2022-09-04T14:43:15.720117Z",
            "structure_string": "H26 Ru2 C12 S2 N8 O16 F18\n1.0\n14.076307 4.823498 0.000000\n-14.076307 4.823498 0.000000\n0.000000 1.688395 6.966253\nH Ru C S N O F\n26 2 12 2 8 16 18\ndirect\n0.025077 0.251234 0.642133 H\n0.251234 0.025077 0.142133 H\n0.382978 0.699411 0.358600 H\n0.699411 0.382978 0.858600 H\n0.323338 0.703665 0.560320 H\n0.703665 0.323338 0.060320 H\n0.261863 0.552226 0.542896 H\n0.552226 0.261863 0.042896 H\n0.277721 0.471894 0.816985 H\n0.471894 0.277721 0.316985 H\n0.377181 0.576570 0.973913 H\n0.576570 0.377181 0.473913 H\n0.421946 0.522652 0.849143 H\n0.522652 0.421946 0.349143 H\n0.803287 0.920733 0.695825 H\n0.920733 0.803287 0.195825 H\n0.672775 0.788237 0.891699 H\n0.788237 0.672775 0.391699 H\n0.734403 0.942695 0.842834 H\n0.942695 0.734403 0.342834 H\n0.656021 0.012248 0.463043 H\n0.012248 0.656021 0.963043 H\n0.674967 0.957711 0.288573 H\n0.957711 0.674967 0.788573 H\n0.791699 0.045116 0.435016 H\n0.045116 0.791699 0.935016 H\n0.534610 0.759898 0.626628 Ru\n0.759898 0.534610 0.126628 Ru\n0.449702 0.912950 0.018924 C\n0.912950 0.449702 0.518924 C\n0.977392 0.353646 0.035439 C\n0.353646 0.977392 0.535439 C\n0.101305 0.177056 0.269452 C\n0.177056 0.101305 0.769452 C\n0.467673 0.828146 0.960465 C\n0.828146 0.467673 0.460465 C\n0.940800 0.255056 0.899241 C\n0.255056 0.940800 0.399241 C\n0.124345 0.269005 0.403646 C\n0.269005 0.124345 0.903646 C\n0.589294 0.697208 0.444108 S\n0.697208 0.589294 0.944108 S\n0.354221 0.667352 0.506689 N\n0.667352 0.354221 0.006689 N\n0.384040 0.557487 0.842011 N\n0.557487 0.384040 0.342011 N\n0.705949 0.863861 0.782397 N\n0.863861 0.705949 0.282397 N\n0.681769 0.968041 0.428197 N\n0.968041 0.681769 0.928197 N\n0.556011 0.575441 0.506745 O\n0.575441 0.556011 0.006745 O\n0.674719 0.781424 0.245647 O\n0.781424 0.674719 0.745647 O\n0.493601 0.844406 0.778457 O\n0.844406 0.493601 0.278457 O\n0.452065 0.753458 0.089656 O\n0.753458 0.452065 0.589656 O\n0.812793 0.119444 0.938171 O\n0.119444 0.812793 0.438171 O\n0.053491 0.329145 0.761923 O\n0.329145 0.053491 0.261923 O\n0.244121 0.405287 0.372562 O\n0.405287 0.244121 0.872562 O\n0.003449 0.183669 0.537503 O\n0.183669 0.003449 0.037503 O\n0.481089 0.946162 0.194300 F\n0.946162 0.481089 0.694300 F\n0.539616 0.043394 0.891249 F\n0.043394 0.539616 0.391249 F\n0.303924 0.823597 0.032560 F\n0.823597 0.303924 0.532560 F\n0.099535 0.502885 0.952296 F\n0.502885 0.099535 0.452296 F\n0.859733 0.315733 0.094257 F\n0.315733 0.859733 0.594257 F\n0.007629 0.333325 0.197062 F\n0.333325 0.007629 0.697062 F\n0.038847 0.165074 0.125586 F\n0.165074 0.038847 0.625586 F\n0.233806 0.245448 0.186842 F\n0.245448 0.233806 0.686842 F\n0.007815 0.034633 0.363338 F\n0.034633 0.007815 0.863338 F\n",
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        {
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            "created_at": "2022-09-04T14:41:46.703257Z",
            "structure_string": "H72 Ru4 C24 S12 N12 Cl4 O12\n1.0\n12.048084 0.000000 0.000000\n0.000000 8.282755 0.000000\n0.000000 8.213826 15.185534\nH Ru C S N Cl O\n72 4 24 12 12 4 12\ndirect\n0.031110 0.706455 0.292802 H\n0.468890 0.706455 0.792802 H\n0.968890 0.293545 0.707198 H\n0.531110 0.293545 0.207198 H\n0.969351 0.567545 0.250193 H\n0.530649 0.567545 0.750193 H\n0.030649 0.432455 0.749807 H\n0.469351 0.432455 0.249807 H\n0.037436 0.457945 0.354987 H\n0.462564 0.457945 0.854987 H\n0.962564 0.542055 0.645013 H\n0.537436 0.542055 0.145013 H\n0.128472 0.260424 0.303247 H\n0.371528 0.260424 0.803247 H\n0.871528 0.739576 0.696753 H\n0.628472 0.739576 0.196753 H\n0.084190 0.378153 0.190496 H\n0.415810 0.378153 0.690496 H\n0.915810 0.621847 0.809504 H\n0.584190 0.621847 0.309504 H\n0.229735 0.332888 0.214873 H\n0.270265 0.332888 0.714873 H\n0.770265 0.667112 0.785127 H\n0.729735 0.667112 0.285127 H\n0.099733 0.488602 0.031409 H\n0.400267 0.488602 0.531409 H\n0.900267 0.511398 0.968591 H\n0.599733 0.511398 0.468591 H\n0.093192 0.715344 0.939026 H\n0.406808 0.715344 0.439026 H\n0.906808 0.284656 0.060974 H\n0.593192 0.284656 0.560974 H\n0.191478 0.549846 0.938924 H\n0.308522 0.549846 0.438924 H\n0.808522 0.450154 0.061076 H\n0.691478 0.450154 0.561076 H\n0.356386 0.753461 0.901485 H\n0.143614 0.753461 0.401485 H\n0.643614 0.246539 0.098515 H\n0.856386 0.246539 0.598515 H\n0.267786 0.939808 0.889668 H\n0.232214 0.939808 0.389668 H\n0.732214 0.060192 0.110332 H\n0.767786 0.060192 0.610332 H\n0.393827 0.891530 0.952952 H\n0.106173 0.891530 0.452952 H\n0.606173 0.108470 0.047048 H\n0.893827 0.108470 0.547048 H\n0.352235 0.190885 0.967980 H\n0.147765 0.190885 0.467980 H\n0.647765 0.809115 0.032020 H\n0.852235 0.809115 0.532020 H\n0.276637 0.249080 0.041327 H\n0.223363 0.249080 0.541327 H\n0.723363 0.750920 0.958673 H\n0.776637 0.750920 0.458673 H\n0.425593 0.233591 0.047365 H\n0.074407 0.233591 0.547365 H\n0.574407 0.766409 0.952635 H\n0.925593 0.766409 0.452635 H\n0.432829 0.025672 0.208864 H\n0.067171 0.025672 0.708864 H\n0.567171 0.974328 0.791136 H\n0.932829 0.974328 0.291136 H\n0.283011 0.036487 0.216012 H\n0.216989 0.036487 0.716012 H\n0.716989 0.963513 0.783988 H\n0.783011 0.963513 0.283988 H\n0.352815 0.817863 0.267419 H\n0.147185 0.817863 0.767419 H\n0.647185 0.182137 0.732581 H\n0.852815 0.182137 0.232581 H\n0.170951 0.829638 0.097654 Ru\n0.329049 0.829638 0.597654 Ru\n0.829049 0.170362 0.902346 Ru\n0.670951 0.170362 0.402346 Ru\n0.037536 0.578048 0.289568 C\n0.462464 0.578048 0.789568 C\n0.962464 0.421952 0.710432 C\n0.537536 0.421952 0.210432 C\n0.150952 0.364165 0.236423 C\n0.349048 0.364165 0.736423 C\n0.849048 0.635835 0.763577 C\n0.650952 0.635835 0.263577 C\n0.147827 0.599300 0.979325 C\n0.352173 0.599300 0.479325 C\n0.852173 0.400700 0.020675 C\n0.647827 0.400700 0.520675 C\n0.325327 0.832292 0.933002 C\n0.174673 0.832292 0.433002 C\n0.674673 0.167708 0.066998 C\n0.825327 0.167708 0.566998 C\n0.349587 0.179145 0.033804 C\n0.150413 0.179145 0.533804 C\n0.650413 0.820855 0.966196 C\n0.849587 0.820855 0.466196 C\n0.353739 0.957524 0.212100 C\n0.146261 0.957524 0.712100 C\n0.646261 0.042476 0.787900 C\n0.853739 0.042476 0.287900 C\n0.167368 0.579897 0.237273 S\n0.332632 0.579897 0.737273 S\n0.832632 0.420103 0.762727 S\n0.667368 0.420103 0.262727 S\n0.340616 0.939170 0.112653 S\n0.159384 0.939170 0.612653 S\n0.659384 0.060830 0.887347 S\n0.840616 0.060830 0.387347 S\n0.250958 0.674748 0.031082 S\n0.249042 0.674748 0.531082 S\n0.749042 0.325252 0.968918 S\n0.750958 0.325252 0.468918 S\n0.150067 0.059934 0.966841 N\n0.349933 0.059934 0.466841 N\n0.849933 0.940066 0.033159 N\n0.650067 0.940066 0.533159 N\n0.070053 0.155064 0.945219 N\n0.429947 0.155064 0.445219 N\n0.929947 0.844936 0.054781 N\n0.570053 0.844936 0.554781 N\n0.992969 0.255906 0.921217 N\n0.507031 0.255906 0.421217 N\n0.007031 0.744094 0.078783 N\n0.492969 0.744094 0.578783 N\n0.081800 0.023979 0.151621 Cl\n0.418200 0.023979 0.651621 Cl\n0.918200 0.976021 0.848379 Cl\n0.581800 0.976021 0.348379 Cl\n0.258028 0.554910 0.300870 O\n0.241972 0.554910 0.800870 O\n0.741972 0.445090 0.699130 O\n0.758028 0.445090 0.199130 O\n0.325923 0.516581 0.082495 O\n0.174077 0.516581 0.582495 O\n0.674077 0.483419 0.917505 O\n0.825923 0.483419 0.417505 O\n0.443694 0.849509 0.104153 O\n0.056306 0.849509 0.604153 O\n0.556306 0.150491 0.895847 O\n0.943694 0.150491 0.395847 O\n",
            "nsites": 140,
            "nelements": 7,
            "elements": [
                "H",
                "Ru",
                "C",
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                "N",
                "Cl",
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            ],
            "chemical_system": "C-Cl-H-N-O-Ru-S",
            "density": 1.809992471460078,
            "density_atomic": 0.09238578748884993,
            "volume": 1515.3846041188601,
            "volume_molar": 6.518470993957608,
            "formula_full": "H72 Ru4 C24 S12 N12 Cl4 O12",
            "formula_reduced": "H18RuC6S3N3ClO3",
            "formula_anonymous": "ABC3D3E3F6G18",
            "energy": -766.1714590700001,
            "energy_per_atom": -5.472653279071429,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -751.13945907,
            "band_gap": 3.3993,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0114706,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:24.381000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-698381",
            "created_at": "2022-09-04T14:39:13.050918Z",
            "structure_string": "H48 Ru4 C16 S8 N8 Cl8 O20\n1.0\n13.782772 0.000000 0.000000\n0.000000 9.007865 0.000000\n0.000000 2.734469 11.697517\nH Ru C S N Cl O\n48 4 16 8 8 8 20\ndirect\n0.595644 0.911696 0.672312 H\n0.095644 0.088304 0.827688 H\n0.404356 0.088304 0.327688 H\n0.904356 0.911696 0.172312 H\n0.587750 0.828401 0.550429 H\n0.087750 0.171599 0.949571 H\n0.412250 0.171599 0.449571 H\n0.912250 0.828401 0.050429 H\n0.678783 0.760184 0.659372 H\n0.178783 0.239816 0.840628 H\n0.321217 0.239816 0.340628 H\n0.821217 0.760184 0.159372 H\n0.548561 0.751157 0.888334 H\n0.048561 0.248843 0.611666 H\n0.451439 0.248843 0.111666 H\n0.951439 0.751157 0.388334 H\n0.646921 0.635573 0.855323 H\n0.146921 0.364427 0.644677 H\n0.353079 0.364427 0.144677 H\n0.853079 0.635573 0.355323 H\n0.534181 0.547939 0.912642 H\n0.034181 0.452061 0.587358 H\n0.465819 0.452061 0.087358 H\n0.965819 0.547939 0.412642 H\n0.814892 0.194817 0.799276 H\n0.314892 0.805183 0.700724 H\n0.185108 0.805183 0.200724 H\n0.685108 0.194817 0.299276 H\n0.750982 0.322410 0.870901 H\n0.250982 0.677590 0.629099 H\n0.249018 0.677590 0.129099 H\n0.749018 0.322410 0.370901 H\n0.735269 0.338965 0.719409 H\n0.235269 0.661035 0.780591 H\n0.264731 0.661035 0.280591 H\n0.764731 0.338965 0.219409 H\n0.741476 0.999204 0.987094 H\n0.241476 0.000796 0.512906 H\n0.258524 0.000796 0.012906 H\n0.758524 0.999204 0.487094 H\n0.614795 0.953543 0.004446 H\n0.114795 0.046457 0.495554 H\n0.385205 0.046457 0.995554 H\n0.885205 0.953543 0.504446 H\n0.658193 0.134038 0.025738 H\n0.158193 0.865962 0.474262 H\n0.341807 0.865962 0.974262 H\n0.841807 0.134038 0.525738 H\n0.465496 0.317594 0.699620 Ru\n0.965496 0.682406 0.800380 Ru\n0.534504 0.682406 0.300380 Ru\n0.034504 0.317594 0.199620 Ru\n0.605238 0.806520 0.641688 C\n0.105238 0.193480 0.858312 C\n0.394762 0.193480 0.358312 C\n0.894762 0.806520 0.141688 C\n0.568032 0.648758 0.858313 C\n0.068032 0.351242 0.641687 C\n0.431968 0.351242 0.141687 C\n0.931968 0.648758 0.358313 C\n0.748240 0.260621 0.802255 C\n0.248240 0.739379 0.697745 C\n0.251760 0.739379 0.197745 C\n0.751760 0.260621 0.302255 C\n0.667591 0.045780 0.977100 C\n0.167591 0.954220 0.522900 C\n0.332409 0.954220 0.022900 C\n0.832409 0.045780 0.477100 C\n0.520398 0.667270 0.716086 S\n0.020398 0.332730 0.783914 S\n0.479602 0.332730 0.283914 S\n0.979602 0.667270 0.216086 S\n0.648235 0.129491 0.828021 S\n0.148235 0.870509 0.671979 S\n0.351765 0.870509 0.171979 S\n0.851765 0.129491 0.328021 S\n0.378594 0.392037 0.597140 N\n0.878594 0.607963 0.902860 N\n0.621406 0.607963 0.402860 N\n0.121406 0.392037 0.097140 N\n0.399082 0.108314 0.725437 N\n0.899082 0.891686 0.774563 N\n0.600918 0.891686 0.274563 N\n0.100918 0.108314 0.225437 N\n0.578181 0.240558 0.571986 Cl\n0.078181 0.759442 0.928014 Cl\n0.421819 0.759442 0.428014 Cl\n0.921819 0.240558 0.071986 Cl\n0.367863 0.385387 0.845669 Cl\n0.867863 0.614613 0.654331 Cl\n0.632137 0.614613 0.154331 Cl\n0.132137 0.385387 0.345669 Cl\n0.553753 0.520545 0.678989 O\n0.053753 0.479455 0.821011 O\n0.446247 0.479455 0.321011 O\n0.946247 0.520545 0.178989 O\n0.558129 0.233617 0.834967 O\n0.058129 0.766383 0.665033 O\n0.441871 0.766383 0.165033 O\n0.941871 0.233617 0.334967 O\n0.314715 0.433104 0.534357 O\n0.814715 0.566896 0.965643 O\n0.685285 0.566896 0.465643 O\n0.185285 0.433104 0.034357 O\n0.444527 0.992788 0.775568 O\n0.944527 0.007212 0.724432 O\n0.555473 0.007212 0.224432 O\n0.055473 0.992788 0.275568 O\n0.314217 0.098970 0.689825 O\n0.814217 0.901030 0.810175 O\n0.685783 0.901030 0.310175 O\n0.185783 0.098970 0.189825 O\n",
            "nsites": 112,
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            "elements": [
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                "Ru",
                "C",
                "S",
                "N",
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                "O"
            ],
            "chemical_system": "C-Cl-H-N-O-Ru-S",
            "density": 1.8488931120401337,
            "density_atomic": 0.07711980040219751,
            "volume": 1452.285916404013,
            "volume_molar": 7.808812689598713,
            "formula_full": "H48 Ru4 C16 S8 N8 Cl8 O20",
            "formula_reduced": "H12RuC4S2N2Cl2O5",
            "formula_anonymous": "AB2C2D2E4F5G12",
            "energy": -618.4371641500001,
            "energy_per_atom": -5.521760394196429,
            "energy_above_hull": null,
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            "decomposes_to": null,
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            "energy_uncorrected": -599.78516415,
            "band_gap": 2.0392,
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            "is_magnetic": false,
            "total_magnetization": 4.3e-06,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:39.023000Z",
            "spacegroup": 14
        }
    ]
}