GET /third-parties/MatprojStructure/?format=api&ordering=-elements&page=57
HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept

{
    "count": 146323,
    "next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-elements&page=58",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-elements&page=56",
    "results": [
        {
            "id": "mp-604327",
            "created_at": "2022-09-04T14:46:35.693508Z",
            "structure_string": "Ni4 H72 C16 S24 N32 O16\n1.0\n9.570144 0.000000 0.000000\n0.000000 12.014255 0.000000\n0.000000 0.000000 20.226185\nNi H C S N O\n4 72 16 24 32 16\ndirect\n0.442154 0.542797 0.096356 Ni\n0.942154 0.957203 0.903644 Ni\n0.057846 0.457203 0.596356 Ni\n0.557846 0.042797 0.403644 Ni\n0.060889 0.991283 0.541496 H\n0.221611 0.461404 0.358182 H\n0.726425 0.388905 0.933595 H\n0.228851 0.340963 0.814352 H\n0.595515 0.279859 0.573961 H\n0.773575 0.611095 0.433595 H\n0.186210 0.894405 0.811814 H\n0.173476 0.825004 0.321313 H\n0.260730 0.940718 0.345940 H\n0.065579 0.368225 0.847289 H\n0.826524 0.325004 0.178687 H\n0.060337 0.057472 0.467057 H\n0.723092 0.176363 0.651052 H\n0.276908 0.676363 0.848948 H\n0.439663 0.942528 0.967057 H\n0.902961 0.762187 0.991961 H\n0.934658 0.659562 0.220887 H\n0.069959 0.057216 0.034532 H\n0.095515 0.220141 0.426039 H\n0.567830 0.714337 0.842308 H\n0.565342 0.340438 0.720887 H\n0.693284 0.521159 0.249106 H\n0.565579 0.131775 0.152711 H\n0.430041 0.942784 0.534532 H\n0.904485 0.720141 0.073961 H\n0.439111 0.008717 0.041496 H\n0.789669 0.242877 0.387372 H\n0.404485 0.779859 0.926039 H\n0.306716 0.021159 0.250894 H\n0.776908 0.823637 0.151052 H\n0.710331 0.757123 0.887372 H\n0.006665 0.537548 0.239637 H\n0.597039 0.237813 0.491961 H\n0.278389 0.538596 0.858182 H\n0.097039 0.262187 0.508039 H\n0.067830 0.785663 0.157692 H\n0.760730 0.559282 0.654060 H\n0.930041 0.557216 0.465468 H\n0.223092 0.323637 0.348948 H\n0.686210 0.605595 0.188186 H\n0.226425 0.111095 0.066405 H\n0.673476 0.674996 0.678687 H\n0.271149 0.659037 0.314352 H\n0.993335 0.037548 0.260363 H\n0.289669 0.257123 0.612628 H\n0.193284 0.978841 0.750894 H\n0.569959 0.442784 0.965468 H\n0.939663 0.557472 0.032943 H\n0.778389 0.961404 0.141818 H\n0.432170 0.214337 0.657692 H\n0.434421 0.631775 0.347289 H\n0.493335 0.462452 0.739637 H\n0.434658 0.840438 0.779113 H\n0.771149 0.840963 0.685648 H\n0.728851 0.159037 0.185648 H\n0.934421 0.868225 0.652711 H\n0.210331 0.742877 0.112628 H\n0.402961 0.737813 0.008039 H\n0.065342 0.159562 0.279113 H\n0.813790 0.394405 0.688186 H\n0.721611 0.038596 0.641818 H\n0.506665 0.962452 0.760363 H\n0.560889 0.508717 0.458504 H\n0.313790 0.105595 0.311814 H\n0.932170 0.285663 0.342308 H\n0.326524 0.174996 0.821313 H\n0.939111 0.491283 0.958504 H\n0.739270 0.440718 0.154060 H\n0.560337 0.442528 0.532943 H\n0.806716 0.478841 0.749106 H\n0.239270 0.059282 0.845940 H\n0.273575 0.888905 0.566405 H\n0.145229 0.381383 0.436939 C\n0.376305 0.374353 0.675682 C\n0.135260 0.208447 0.859270 C\n0.751606 0.492134 0.505270 C\n0.864740 0.708447 0.640730 C\n0.123695 0.625647 0.175682 C\n0.645229 0.118617 0.563061 C\n0.623695 0.874353 0.824318 C\n0.248394 0.992134 0.994730 C\n0.876305 0.125647 0.324318 C\n0.748394 0.507866 0.005270 C\n0.364740 0.791553 0.359270 C\n0.354771 0.618617 0.936939 C\n0.854771 0.881383 0.063061 C\n0.635260 0.291553 0.140730 C\n0.251606 0.007866 0.494730 C\n0.833654 0.994345 0.012496 S\n0.265261 0.484605 0.664553 S\n0.169378 0.902597 0.939312 S\n0.979071 0.162685 0.890815 S\n0.765261 0.015395 0.335447 S\n0.333654 0.505655 0.987504 S\n0.669378 0.597403 0.060688 S\n0.020929 0.662685 0.609185 S\n0.166346 0.494345 0.487504 S\n0.234739 0.515395 0.164553 S\n0.330622 0.097403 0.439312 S\n0.425619 0.857027 0.145731 S\n0.532871 0.734146 0.192835 S\n0.574381 0.357027 0.354269 S\n0.074381 0.142973 0.645731 S\n0.967129 0.265854 0.692835 S\n0.830622 0.402597 0.560688 S\n0.479071 0.337315 0.109185 S\n0.032871 0.765854 0.807165 S\n0.467129 0.234146 0.307165 S\n0.520929 0.837315 0.390815 S\n0.925619 0.642973 0.854269 S\n0.666346 0.005655 0.512496 S\n0.734739 0.984605 0.835447 S\n0.251677 0.856156 0.349736 N\n0.388889 0.996601 0.996956 N\n0.900547 0.783977 0.041211 N\n0.611111 0.496601 0.503044 N\n0.149846 0.316776 0.844863 N\n0.876389 0.219539 0.359576 N\n0.623611 0.780461 0.859576 N\n0.751677 0.643844 0.650264 N\n0.248323 0.143844 0.849736 N\n0.526598 0.883355 0.775229 N\n0.599453 0.216023 0.541211 N\n0.473402 0.383355 0.724771 N\n0.973402 0.116645 0.275229 N\n0.350154 0.683224 0.344863 N\n0.123611 0.719539 0.140424 N\n0.323463 0.943183 0.536169 N\n0.828690 0.889785 0.129623 N\n0.671310 0.110215 0.629623 N\n0.171310 0.389785 0.370377 N\n0.328690 0.610215 0.870377 N\n0.748323 0.356156 0.150264 N\n0.676537 0.443183 0.963831 N\n0.099453 0.283977 0.458789 N\n0.888889 0.503399 0.003044 N\n0.376389 0.280461 0.640424 N\n0.176537 0.056817 0.036169 N\n0.026598 0.616645 0.224771 N\n0.649846 0.183224 0.155137 N\n0.823463 0.556817 0.463831 N\n0.111111 0.003399 0.496956 N\n0.850154 0.816776 0.655137 N\n0.400547 0.716023 0.958789 N\n0.479329 0.448038 0.374996 O\n0.249418 0.940705 0.784970 O\n0.250582 0.059295 0.284970 O\n0.979329 0.051962 0.625004 O\n0.639291 0.302322 0.413926 O\n0.684811 0.398844 0.309532 O\n0.860709 0.697678 0.913926 O\n0.184811 0.101156 0.690468 O\n0.815189 0.601156 0.809532 O\n0.139291 0.197678 0.586074 O\n0.520671 0.948038 0.125004 O\n0.020671 0.551962 0.874996 O\n0.315189 0.898844 0.190468 O\n0.360709 0.802322 0.086074 O\n0.749418 0.559295 0.215030 O\n0.750582 0.440705 0.715030 O\n",
            "nsites": 164,
            "nelements": 6,
            "elements": [
                "Ni",
                "H",
                "C",
                "S",
                "N",
                "O"
            ],
            "chemical_system": "C-H-N-Ni-O-S",
            "density": 1.4089928849065818,
            "density_atomic": 0.07052036553304886,
            "volume": 2325.5693410032395,
            "volume_molar": 8.539576779671918,
            "formula_full": "Ni4 H72 C16 S24 N32 O16",
            "formula_reduced": "NiH18C4S6(N2O)4",
            "formula_anonymous": "AB4C4D6E8F18",
            "energy": -933.69488404,
            "energy_per_atom": -5.693261488048781,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -900.98688404,
            "band_gap": 1.8271,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 8.0000108,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:29.848000Z",
            "spacegroup": 19
        },
        {
            "id": "mp-1195490",
            "created_at": "2022-09-04T14:40:56.967276Z",
            "structure_string": "Ni4 H128 C16 S8 N8 O64\n1.0\n8.948168 0.000000 0.000000\n0.000000 13.306771 0.000000\n0.000000 0.000000 17.102624\nNi H C S N O\n4 128 16 8 8 64\ndirect\n0.500000 0.500000 0.000000 Ni\n0.000000 -0.000000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.346750 0.420474 0.121444 H\n0.846750 0.079526 0.878556 H\n0.653250 0.920474 0.378556 H\n0.153250 0.579526 0.621444 H\n0.653250 0.579526 0.878556 H\n0.153250 0.920474 0.121444 H\n0.346750 0.079526 0.621444 H\n0.846750 0.420474 0.378556 H\n0.524202 0.401541 0.132003 H\n0.024202 0.098459 0.867997 H\n0.475798 0.901541 0.367997 H\n0.975798 0.598459 0.632003 H\n0.475798 0.598459 0.867997 H\n0.975798 0.901541 0.132003 H\n0.524202 0.098459 0.632003 H\n0.024202 0.401541 0.367997 H\n0.586218 0.660881 0.081448 H\n0.086218 0.839119 0.918552 H\n0.413782 0.160881 0.418552 H\n0.913782 0.339119 0.581448 H\n0.413782 0.339119 0.918552 H\n0.913782 0.160881 0.081448 H\n0.586218 0.839119 0.581448 H\n0.086218 0.660881 0.418552 H\n0.710334 0.637821 0.017555 H\n0.210334 0.862179 0.982445 H\n0.289666 0.137821 0.482445 H\n0.789666 0.362179 0.517555 H\n0.289666 0.362179 0.982445 H\n0.789666 0.137821 0.017555 H\n0.710334 0.862179 0.517555 H\n0.210334 0.637821 0.482445 H\n0.770347 0.411914 0.026742 H\n0.270347 0.088086 0.973258 H\n0.229653 0.911914 0.473258 H\n0.729653 0.588086 0.526742 H\n0.229653 0.588086 0.973258 H\n0.729653 0.911914 0.026742 H\n0.770347 0.088086 0.526742 H\n0.270347 0.411914 0.473258 H\n0.657280 0.331725 0.988978 H\n0.157280 0.168275 0.011022 H\n0.342720 0.831725 0.511022 H\n0.842720 0.668275 0.488978 H\n0.342720 0.668275 0.011022 H\n0.842720 0.831725 0.988978 H\n0.657280 0.168275 0.488978 H\n0.157280 0.331725 0.511022 H\n0.773884 0.316309 0.170848 H\n0.273884 0.183691 0.829152 H\n0.226116 0.816309 0.329152 H\n0.726116 0.683691 0.670848 H\n0.226116 0.683691 0.829152 H\n0.726116 0.816309 0.170848 H\n0.773884 0.183691 0.670848 H\n0.273884 0.316309 0.329152 H\n0.672445 0.346074 0.242969 H\n0.172445 0.153926 0.757031 H\n0.327555 0.846074 0.257031 H\n0.827555 0.653926 0.742969 H\n0.327555 0.653926 0.757031 H\n0.827555 0.846074 0.242969 H\n0.672445 0.153926 0.742969 H\n0.172445 0.346074 0.257031 H\n0.612667 0.157875 0.114815 H\n0.112667 0.342125 0.885185 H\n0.387333 0.657875 0.385185 H\n0.887333 0.842125 0.614815 H\n0.387333 0.842125 0.885185 H\n0.887333 0.657875 0.114815 H\n0.612667 0.342125 0.614815 H\n0.112667 0.157875 0.385185 H\n0.521873 0.049288 0.101257 H\n0.021873 0.450712 0.898743 H\n0.478127 0.549288 0.398743 H\n0.978127 0.950712 0.601257 H\n0.478127 0.950712 0.898743 H\n0.978127 0.549288 0.101257 H\n0.521873 0.450712 0.601257 H\n0.021873 0.049288 0.398743 H\n0.699338 0.029819 0.202514 H\n0.199338 0.470181 0.797486 H\n0.300662 0.529819 0.297486 H\n0.800662 0.970181 0.702514 H\n0.300662 0.970181 0.797486 H\n0.800662 0.529819 0.202514 H\n0.699338 0.470181 0.702514 H\n0.199338 0.029819 0.297486 H\n0.610026 0.131315 0.255582 H\n0.110026 0.368685 0.744418 H\n0.389974 0.631315 0.244418 H\n0.889974 0.868685 0.755582 H\n0.389974 0.868685 0.744418 H\n0.889974 0.631315 0.255582 H\n0.610026 0.368685 0.755582 H\n0.110026 0.131315 0.244418 H\n0.512285 0.016308 0.238106 H\n0.012285 0.483692 0.761894 H\n0.487715 0.516308 0.261894 H\n0.987715 0.983692 0.738106 H\n0.487715 0.983692 0.761894 H\n0.987715 0.516308 0.238106 H\n0.512285 0.483692 0.738106 H\n0.012285 0.016308 0.261894 H\n0.356562 0.199672 0.096121 H\n0.856562 0.300328 0.903879 H\n0.643438 0.699672 0.403879 H\n0.143438 0.800328 0.596121 H\n0.643438 0.800328 0.903879 H\n0.143438 0.699672 0.096121 H\n0.356562 0.300328 0.596121 H\n0.856562 0.199672 0.403879 H\n0.308386 0.114718 0.172745 H\n0.808386 0.385282 0.827255 H\n0.691614 0.614718 0.327255 H\n0.191614 0.885282 0.672745 H\n0.691614 0.885282 0.827255 H\n0.191614 0.614718 0.172745 H\n0.308386 0.385282 0.672745 H\n0.808386 0.114718 0.327255 H\n0.413298 0.226391 0.194605 H\n0.913298 0.273609 0.805395 H\n0.586702 0.726391 0.305395 H\n0.086702 0.773609 0.694605 H\n0.586702 0.773609 0.805395 H\n0.086702 0.726391 0.194605 H\n0.413298 0.273609 0.694605 H\n0.913298 0.226391 0.305395 H\n0.594393 0.069098 0.214468 C\n0.094393 0.430902 0.785532 C\n0.405607 0.569098 0.285532 C\n0.905607 0.930902 0.714468 C\n0.405607 0.930902 0.785532 C\n0.905607 0.569098 0.214468 C\n0.594393 0.430902 0.714468 C\n0.094393 0.069098 0.285532 C\n0.393075 0.167104 0.151440 C\n0.893075 0.332896 0.848560 C\n0.606925 0.667104 0.348560 C\n0.106925 0.832896 0.651440 C\n0.606925 0.832896 0.848560 C\n0.106925 0.667104 0.151440 C\n0.393075 0.332896 0.651440 C\n0.893075 0.167104 0.348560 C\n0.943663 0.657380 0.905614 S\n0.443663 0.842620 0.094386 S\n0.056337 0.157380 0.594386 S\n0.556337 0.342620 0.405614 S\n0.056337 0.342620 0.094386 S\n0.556337 0.157380 0.905614 S\n0.943663 0.842620 0.405614 S\n0.443663 0.657380 0.594386 S\n0.534941 0.110616 0.139771 N\n0.034941 0.389384 0.860229 N\n0.465059 0.610616 0.360229 N\n0.965059 0.889384 0.639771 N\n0.465059 0.889384 0.860229 N\n0.965059 0.610616 0.139771 N\n0.534941 0.389384 0.639771 N\n0.034941 0.110616 0.360229 N\n0.864751 0.700201 0.975736 O\n0.364751 0.799799 0.024264 O\n0.135249 0.200201 0.524264 O\n0.635249 0.299799 0.475736 O\n0.135249 0.299799 0.024264 O\n0.635249 0.200201 0.975736 O\n0.864751 0.799799 0.475736 O\n0.364751 0.700201 0.524264 O\n0.831631 0.614895 0.849643 O\n0.331631 0.885105 0.150357 O\n0.168369 0.114895 0.650357 O\n0.668369 0.385105 0.349643 O\n0.168369 0.385105 0.150357 O\n0.668369 0.114895 0.849643 O\n0.831631 0.885105 0.349643 O\n0.331631 0.614895 0.650357 O\n0.030739 0.738573 0.866308 O\n0.530739 0.761427 0.133692 O\n0.969261 0.238573 0.633692 O\n0.469261 0.261427 0.366308 O\n0.969261 0.261427 0.133692 O\n0.469261 0.238573 0.866308 O\n0.030739 0.761427 0.366308 O\n0.530739 0.738573 0.633692 O\n0.047071 0.575590 0.931439 O\n0.547071 0.924410 0.068561 O\n0.952929 0.075590 0.568561 O\n0.452929 0.424410 0.431439 O\n0.952929 0.424410 0.068561 O\n0.452929 0.075590 0.931439 O\n0.047071 0.924410 0.431439 O\n0.547071 0.575590 0.568561 O\n0.448261 0.448135 0.110964 O\n0.948261 0.051865 0.889036 O\n0.551739 0.948135 0.389036 O\n0.051739 0.551865 0.610964 O\n0.551739 0.551865 0.889036 O\n0.051739 0.948135 0.110964 O\n0.448261 0.051865 0.610964 O\n0.948261 0.448135 0.389036 O\n0.638221 0.604962 0.053570 O\n0.138221 0.895038 0.946430 O\n0.361779 0.104962 0.446430 O\n0.861779 0.395038 0.553570 O\n0.361779 0.395038 0.946430 O\n0.861779 0.104962 0.053570 O\n0.638221 0.895038 0.553570 O\n0.138221 0.604962 0.446430 O\n0.679543 0.404550 0.994272 O\n0.179543 0.095450 0.005728 O\n0.320457 0.904550 0.505728 O\n0.820457 0.595450 0.494272 O\n0.320457 0.595450 0.005728 O\n0.820457 0.904550 0.994272 O\n0.679543 0.095450 0.494272 O\n0.179543 0.404550 0.505728 O\n0.669756 0.328535 0.186922 O\n0.169756 0.171465 0.813078 O\n0.330244 0.828535 0.313078 O\n0.830244 0.671465 0.686922 O\n0.330244 0.671465 0.813078 O\n0.830244 0.828535 0.186922 O\n0.669756 0.171465 0.686922 O\n0.169756 0.328535 0.313078 O\n",
            "nsites": 228,
            "nelements": 6,
            "elements": [
                "Ni",
                "H",
                "C",
                "S",
                "N",
                "O"
            ],
            "chemical_system": "C-H-N-Ni-O-S",
            "density": 1.588836203369097,
            "density_atomic": 0.11196061793558174,
            "volume": 2036.430346706226,
            "volume_molar": 5.378802717456358,
            "formula_full": "Ni4 H128 C16 S8 N8 O64",
            "formula_reduced": "NiH32C4S2(NO8)2",
            "formula_anonymous": "AB2C2D4E16F32",
            "energy": -1250.5190904,
            "energy_per_atom": -5.48473285263158,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1193.4990904,
            "band_gap": 4.9927,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 8.0000002,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:59.859000Z",
            "spacegroup": 61
        },
        {
            "id": "mp-554559",
            "created_at": "2022-09-04T14:46:08.909300Z",
            "structure_string": "Ni2 H64 C16 S8 N4 O20\n1.0\n10.684139 0.000000 0.000000\n0.000000 10.206243 0.000000\n0.000000 6.745872 9.752191\nNi H C S N O\n2 64 16 8 4 20\ndirect\n0.000000 0.000000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.469771 0.818223 0.762253 H\n0.583923 0.398065 0.623884 H\n0.487429 0.174717 0.828793 H\n0.402873 0.879230 0.376092 H\n0.495460 0.584030 0.731674 H\n0.504540 0.415970 0.268326 H\n0.012571 0.174717 0.328793 H\n0.766538 0.343517 0.208716 H\n0.123806 0.656153 0.498645 H\n0.916077 0.398065 0.123884 H\n0.863539 0.117570 0.416882 H\n0.695280 0.510512 0.850172 H\n0.243220 0.688311 0.073032 H\n0.458226 0.190574 0.583286 H\n0.902873 0.120770 0.123908 H\n0.256780 0.688311 0.573032 H\n0.136461 0.882430 0.583118 H\n0.093162 0.435213 0.229401 H\n0.743220 0.311689 0.426968 H\n0.339873 0.912191 0.708234 H\n0.003139 0.845469 0.511591 H\n0.660127 0.087809 0.291766 H\n0.503139 0.154531 0.988409 H\n0.969771 0.181777 0.737747 H\n0.266538 0.656483 0.291284 H\n0.530229 0.181777 0.237747 H\n0.073881 0.417571 0.387915 H\n0.926119 0.582429 0.612085 H\n0.839873 0.087809 0.791766 H\n0.496861 0.845469 0.011591 H\n0.083923 0.601935 0.876116 H\n0.906838 0.564787 0.770599 H\n0.160127 0.912191 0.208234 H\n0.041774 0.190574 0.083286 H\n0.804720 0.510512 0.350172 H\n0.573881 0.582429 0.112085 H\n0.327870 0.457858 0.367968 H\n0.172130 0.457858 0.867968 H\n0.996861 0.154531 0.488409 H\n0.623806 0.343847 0.001355 H\n0.363539 0.882430 0.083118 H\n0.097127 0.879230 0.876092 H\n0.876194 0.343847 0.501355 H\n0.304720 0.489488 0.149828 H\n0.672130 0.542142 0.632032 H\n0.512571 0.825283 0.171207 H\n0.958226 0.809426 0.916714 H\n0.733462 0.343517 0.708716 H\n0.593162 0.564787 0.270599 H\n0.756780 0.311689 0.926968 H\n0.636461 0.117570 0.916882 H\n0.376194 0.656153 0.998645 H\n0.030229 0.818223 0.262253 H\n0.541774 0.809426 0.416714 H\n0.004540 0.584030 0.231674 H\n0.995460 0.415970 0.768326 H\n0.426119 0.417571 0.887915 H\n0.416077 0.601935 0.376116 H\n0.233462 0.656483 0.791284 H\n0.195280 0.489488 0.649828 H\n0.987429 0.825283 0.671207 H\n0.597127 0.120770 0.623908 H\n0.827870 0.542142 0.132032 H\n0.406838 0.435213 0.729401 H\n0.469559 0.457885 0.789493 C\n0.648942 0.415485 0.685702 C\n0.851058 0.415485 0.185702 C\n0.327425 0.616476 0.094225 C\n0.030441 0.457885 0.289493 C\n0.672575 0.383524 0.905775 C\n0.148942 0.584515 0.814298 C\n0.172575 0.616476 0.594225 C\n0.948829 0.188298 0.393833 C\n0.051171 0.811702 0.606167 C\n0.969559 0.542115 0.710507 C\n0.448829 0.811702 0.106167 C\n0.530441 0.542115 0.210507 C\n0.551171 0.188298 0.893833 C\n0.827425 0.383524 0.405775 C\n0.351058 0.584515 0.314298 C\n0.288955 0.153504 0.215914 S\n0.301426 0.144177 0.391788 S\n0.211045 0.153504 0.715914 S\n0.801426 0.855823 0.108212 S\n0.698574 0.855823 0.608212 S\n0.711045 0.846496 0.784086 S\n0.198574 0.144177 0.891788 S\n0.788955 0.846496 0.284086 S\n0.414160 0.638910 0.181399 N\n0.914160 0.361090 0.318601 N\n0.585840 0.361090 0.818601 N\n0.085840 0.638910 0.681399 N\n0.284528 0.986016 0.253522 O\n0.172649 0.240846 0.144696 O\n0.096372 0.854565 0.190769 O\n0.034686 0.830057 0.951976 O\n0.715472 0.013984 0.746478 O\n0.215472 0.986016 0.753522 O\n0.465314 0.830057 0.451976 O\n0.534686 0.169943 0.548024 O\n0.596372 0.145435 0.309231 O\n0.903628 0.145435 0.809231 O\n0.098126 0.236902 0.631228 O\n0.827351 0.759154 0.855304 O\n0.327351 0.240846 0.644696 O\n0.401874 0.236902 0.131228 O\n0.598126 0.763098 0.868772 O\n0.784528 0.013984 0.246478 O\n0.965314 0.169943 0.048024 O\n0.403628 0.854565 0.690769 O\n0.901874 0.763098 0.368772 O\n0.672649 0.759154 0.355304 O\n",
            "nsites": 114,
            "nelements": 6,
            "elements": [
                "Ni",
                "H",
                "C",
                "S",
                "N",
                "O"
            ],
            "chemical_system": "C-H-N-Ni-O-S",
            "density": 1.5718055049220672,
            "density_atomic": 0.10720060073686337,
            "volume": 1063.4268764950914,
            "volume_molar": 5.61763713878998,
            "formula_full": "Ni2 H64 C16 S8 N4 O20",
            "formula_reduced": "NiH32C8S4(NO5)2",
            "formula_anonymous": "AB2C4D8E10F32",
            "energy": -615.30324414,
            "energy_per_atom": -5.397396878421052,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -595.03724414,
            "band_gap": 3.0247,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 3.9985511,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:24.256000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1197156",
            "created_at": "2022-09-04T14:42:19.622130Z",
            "structure_string": "Ni2 H40 C24 S4 N4 O16\n1.0\n5.242584 0.000000 0.000000\n0.000000 13.313094 0.000000\n0.000000 12.535358 13.707181\nNi H C S N O\n2 40 24 4 4 16\ndirect\n0.500000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.326870 0.057465 0.338082 H\n0.173130 0.057465 0.838082 H\n0.673130 0.942535 0.661918 H\n0.826870 0.942535 0.161918 H\n0.083739 0.007877 0.408118 H\n0.416261 0.007877 0.908118 H\n0.916261 0.992123 0.591882 H\n0.583739 0.992123 0.091882 H\n0.483484 0.158585 0.166426 H\n0.016516 0.158585 0.666426 H\n0.516516 0.841415 0.833574 H\n0.983484 0.841415 0.333574 H\n0.647319 0.027529 0.247386 H\n0.852681 0.027529 0.747386 H\n0.352681 0.972471 0.752614 H\n0.147319 0.972471 0.252614 H\n0.129202 0.415557 0.664813 H\n0.370798 0.415557 0.164813 H\n0.870798 0.584443 0.335187 H\n0.629202 0.584443 0.835187 H\n0.338946 0.336407 0.765797 H\n0.161054 0.336407 0.265797 H\n0.661054 0.663593 0.234203 H\n0.838946 0.663593 0.734203 H\n0.226150 0.506856 0.699776 H\n0.273850 0.506856 0.199776 H\n0.773850 0.493144 0.300224 H\n0.726150 0.493144 0.800224 H\n0.709375 0.309687 0.692407 H\n0.790625 0.309687 0.192407 H\n0.290625 0.690313 0.307593 H\n0.209375 0.690313 0.807593 H\n0.473482 0.353867 0.606418 H\n0.026518 0.353867 0.106418 H\n0.526518 0.646133 0.393582 H\n0.973482 0.646133 0.893582 H\n0.766295 0.448429 0.564426 H\n0.733705 0.448429 0.064426 H\n0.233705 0.551571 0.435574 H\n0.266295 0.551571 0.935574 H\n0.512624 0.725294 0.570027 C\n0.987376 0.725294 0.070027 C\n0.487376 0.274706 0.429973 C\n0.012624 0.274706 0.929973 C\n0.584910 0.613934 0.577343 C\n0.915090 0.613934 0.077343 C\n0.415090 0.386066 0.422657 C\n0.084910 0.386066 0.922657 C\n0.786045 0.699192 0.502038 C\n0.713955 0.699192 0.002038 C\n0.213955 0.300808 0.497962 C\n0.286045 0.300808 0.997962 C\n0.710874 0.809599 0.498971 C\n0.789126 0.809599 0.998971 C\n0.289126 0.190401 0.501029 C\n0.210874 0.190401 0.001029 C\n0.286013 0.433787 0.693979 C\n0.213987 0.433787 0.193979 C\n0.713987 0.566213 0.306021 C\n0.786013 0.566213 0.806021 C\n0.621901 0.395358 0.621881 C\n0.878099 0.395358 0.121881 C\n0.378099 0.604642 0.378119 C\n0.121901 0.604642 0.878119 C\n0.303407 0.769663 0.612176 S\n0.196593 0.769663 0.112176 S\n0.696593 0.230337 0.387824 S\n0.803407 0.230337 0.887824 S\n0.504036 0.488289 0.628432 N\n0.995964 0.488289 0.128432 N\n0.495964 0.511711 0.371568 N\n0.004036 0.511711 0.871568 N\n0.937255 0.683035 0.458747 O\n0.562745 0.683035 0.958747 O\n0.062745 0.316965 0.541253 O\n0.437255 0.316965 0.041253 O\n0.769489 0.931560 0.455030 O\n0.730511 0.931560 0.955030 O\n0.230511 0.068440 0.544970 O\n0.269489 0.068440 0.044970 O\n0.247221 0.058809 0.385640 O\n0.252779 0.058809 0.885640 O\n0.752779 0.941191 0.614360 O\n0.747221 0.941191 0.114360 O\n0.478996 0.069718 0.235029 O\n0.021004 0.069718 0.735029 O\n0.521004 0.930282 0.764971 O\n0.978996 0.930282 0.264971 O\n",
            "nsites": 90,
            "nelements": 6,
            "elements": [
                "Ni",
                "H",
                "C",
                "S",
                "N",
                "O"
            ],
            "chemical_system": "C-H-N-Ni-O-S",
            "density": 1.5382506860453908,
            "density_atomic": 0.09407407693979275,
            "volume": 956.6928842427001,
            "volume_molar": 6.401488014444362,
            "formula_full": "Ni2 H40 C24 S4 N4 O16",
            "formula_reduced": "NiH20C12S2(NO4)2",
            "formula_anonymous": "AB2C2D8E12F20",
            "energy": -548.82148176,
            "energy_per_atom": -6.098016464,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -529.29148176,
            "band_gap": 2.5194,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 3.9979627,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:46.469000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-695946",
            "created_at": "2022-09-04T14:41:34.631067Z",
            "structure_string": "Ni1 H16 C4 S4 N8 Cl2\n1.0\n-4.848866 4.848866 4.519418\n4.848866 -4.848866 4.519418\n4.848866 4.848866 -4.519418\nNi H C S N Cl\n1 16 4 4 8 2\ndirect\n0.000432 0.000432 0.000000 Ni\n0.545635 0.886228 0.351644 H\n0.534584 0.193991 0.648356 H\n0.886228 0.534584 0.340593 H\n0.193991 0.545635 0.659407 H\n0.393565 0.621173 0.216236 H\n0.404937 0.177329 0.783764 H\n0.621173 0.404937 0.227608 H\n0.177329 0.393565 0.772392 H\n0.039543 0.459358 0.019921 H\n0.439438 0.019622 0.980079 H\n0.459358 0.439438 0.419815 H\n0.019622 0.039543 0.580185 H\n0.944743 0.613541 0.993126 H\n0.620415 0.951617 0.006874 H\n0.613541 0.620415 0.668799 H\n0.951617 0.944743 0.331201 H\n0.246716 0.769446 0.175152 C\n0.594294 0.071564 0.824848 C\n0.769446 0.594294 0.522730 C\n0.071564 0.246716 0.477270 C\n0.280407 0.001998 0.220392 S\n0.781606 0.060015 0.779608 S\n0.001998 0.781606 0.721591 S\n0.060015 0.280407 0.278409 S\n0.405718 0.757831 0.261280 N\n0.496551 0.144438 0.738720 N\n0.757831 0.496551 0.352112 N\n0.144438 0.405718 0.647888 N\n0.064787 0.600409 0.054156 N\n0.546253 0.010631 0.945844 N\n0.600409 0.546253 0.535622 N\n0.010631 0.064787 0.464378 N\n0.733500 0.733500 0.000000 Cl\n0.281281 0.281281 0.000000 Cl\n",
            "nsites": 35,
            "nelements": 6,
            "elements": [
                "Ni",
                "H",
                "C",
                "S",
                "N",
                "Cl"
            ],
            "chemical_system": "C-Cl-H-N-Ni-S",
            "density": 1.6958945641334642,
            "density_atomic": 0.08234650611853206,
            "volume": 425.03321209062517,
            "volume_molar": 7.313170945384797,
            "formula_full": "Ni1 H16 C4 S4 N8 Cl2",
            "formula_reduced": "NiH16C4S4(N4Cl)2",
            "formula_anonymous": "AB2C4D4E8F16",
            "energy": -199.74791063,
            "energy_per_atom": -5.707083160857143,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -193.61991063,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.9999639,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:30.095000Z",
            "spacegroup": 79
        },
        {
            "id": "mp-766473",
            "created_at": "2022-09-04T14:45:54.675822Z",
            "structure_string": "Ni1 H36 C12 S6 I4 O6\n1.0\n7.617045 -6.034564 0.000000\n7.617045 6.034564 0.000000\n2.836193 0.000000 9.294695\nNi H C S I O\n1 36 12 6 4 6\ndirect\n0.000000 0.000000 0.000000 Ni\n0.955723 0.197217 0.406078 H\n0.828756 0.109264 0.543364 H\n0.937831 0.299503 0.672407 H\n0.615716 0.117651 0.339752 H\n0.593922 0.044277 0.802783 H\n0.764180 0.253201 0.406580 H\n0.964136 0.479387 0.660400 H\n0.890736 0.456636 0.171244 H\n0.700497 0.327593 0.062169 H\n0.593420 0.235820 0.746799 H\n0.339600 0.035864 0.520613 H\n0.456636 0.171244 0.890736 H\n0.660248 0.384284 0.882349 H\n0.327593 0.062169 0.700497 H\n0.882349 0.660248 0.384284 H\n0.802783 0.593922 0.044277 H\n0.520613 0.339600 0.035864 H\n0.746799 0.593420 0.235820 H\n0.253201 0.406580 0.764180 H\n0.479387 0.660400 0.964136 H\n0.197217 0.406078 0.955723 H\n0.117651 0.339752 0.615716 H\n0.672407 0.937831 0.299503 H\n0.339752 0.615716 0.117651 H\n0.543364 0.828756 0.109264 H\n0.660400 0.964136 0.479387 H\n0.406580 0.764180 0.253201 H\n0.299503 0.672407 0.937831 H\n0.109264 0.543364 0.828756 H\n0.035864 0.520613 0.339600 H\n0.235820 0.746799 0.593420 H\n0.406078 0.955723 0.197217 H\n0.384284 0.882349 0.660248 H\n0.062169 0.700497 0.327593 H\n0.171244 0.890736 0.456636 H\n0.044277 0.802783 0.593922 H\n0.851498 0.162612 0.430409 C\n0.683369 0.011567 0.364704 C\n0.569591 0.148502 0.837388 C\n0.988433 0.635296 0.316631 C\n0.635296 0.316631 0.988433 C\n0.837388 0.569591 0.148502 C\n0.162612 0.430409 0.851498 C\n0.364704 0.683369 0.011567 C\n0.011567 0.364704 0.683369 C\n0.430409 0.851498 0.162612 C\n0.316631 0.988433 0.635296 C\n0.148502 0.837388 0.569591 C\n0.868195 0.031217 0.321335 S\n0.678665 0.131805 0.968783 S\n0.968783 0.678665 0.131805 S\n0.031217 0.321335 0.868195 S\n0.321335 0.868195 0.031217 S\n0.131805 0.968783 0.678665 S\n0.572412 0.572412 0.572412 I\n0.427588 0.427588 0.427588 I\n0.262540 0.262540 0.262540 I\n0.737460 0.737460 0.737460 I\n0.892345 0.113569 0.165982 O\n0.834018 0.107655 0.886431 O\n0.886431 0.834018 0.107655 O\n0.113569 0.165982 0.892345 O\n0.165982 0.892345 0.113569 O\n0.107655 0.886431 0.834018 O\n",
            "nsites": 65,
            "nelements": 6,
            "elements": [
                "Ni",
                "H",
                "C",
                "S",
                "I",
                "O"
            ],
            "chemical_system": "C-H-I-Ni-O-S",
            "density": 2.011587135058879,
            "density_atomic": 0.07607041732874102,
            "volume": 854.4714526686528,
            "volume_molar": 7.916534405188162,
            "formula_full": "Ni1 H36 C12 S6 I4 O6",
            "formula_reduced": "NiH36C12S6(I2O3)2",
            "formula_anonymous": "AB4C6D6E12F36",
            "energy": -321.88951273000004,
            "energy_per_atom": -4.952146349692308,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -315.22651273,
            "band_gap": 1.871,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 2.0004959,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:10.063000Z",
            "spacegroup": 148
        },
        {
            "id": "mp-1202532",
            "created_at": "2022-09-04T14:44:03.331725Z",
            "structure_string": "Ni2 H48 C12 S12 Br4 N24\n1.0\n0.000000 -9.064394 0.000000\n-11.841597 -4.532197 0.000000\n-0.493858 -4.532197 -12.390361\nNi H C S Br N\n2 48 12 12 4 24\ndirect\n0.500000 0.500000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.831951 0.581707 0.237037 H\n0.349305 0.081707 0.737037 H\n0.168049 0.418293 0.762963 H\n0.650695 0.918293 0.262963 H\n0.884047 0.546703 0.102526 H\n0.466724 0.046703 0.602526 H\n0.115953 0.453297 0.897474 H\n0.533276 0.953297 0.397474 H\n0.013270 0.612452 0.298457 H\n0.075821 0.112452 0.798457 H\n0.986730 0.387548 0.701543 H\n0.924179 0.887548 0.201543 H\n0.212814 0.609528 0.211037 H\n0.966621 0.109528 0.711037 H\n0.787186 0.390472 0.788963 H\n0.033379 0.890472 0.288963 H\n0.494194 0.132811 0.889764 H\n0.483231 0.632811 0.389764 H\n0.505806 0.867189 0.110236 H\n0.516769 0.367189 0.610236 H\n0.657655 0.040563 0.935289 H\n0.366494 0.540563 0.435289 H\n0.342345 0.959437 0.064711 H\n0.633506 0.459437 0.564711 H\n0.794022 0.251469 0.975313 H\n0.979197 0.751469 0.475313 H\n0.205978 0.748531 0.024687 H\n0.020803 0.248531 0.524687 H\n0.822861 0.105259 0.984562 H\n0.087317 0.605259 0.484562 H\n0.177139 0.894741 0.015438 H\n0.912683 0.394741 0.515438 H\n0.219103 0.240405 0.155930 H\n0.384562 0.740405 0.655930 H\n0.780897 0.759595 0.844070 H\n0.615438 0.259595 0.344070 H\n0.331541 0.315100 0.054221 H\n0.299137 0.815100 0.554221 H\n0.668459 0.684900 0.945779 H\n0.700863 0.184900 0.445779 H\n0.318059 0.301421 0.367815 H\n0.012705 0.801421 0.867815 H\n0.681941 0.698579 0.632185 H\n0.987295 0.198579 0.132185 H\n0.223496 0.225595 0.326298 H\n0.224612 0.725595 0.826298 H\n0.776504 0.774405 0.673702 H\n0.775388 0.274405 0.173702 H\n0.065275 0.576450 0.142148 C\n0.216127 0.076450 0.642148 C\n0.934725 0.423550 0.857852 C\n0.783873 0.923550 0.357852 C\n0.636797 0.207418 0.924310 C\n0.231474 0.707418 0.424310 C\n0.363203 0.792582 0.075690 C\n0.768526 0.292582 0.575690 C\n0.347878 0.314133 0.205274 C\n0.132715 0.814133 0.705274 C\n0.652122 0.685867 0.794726 C\n0.867285 0.185867 0.294726 C\n0.204122 0.558818 0.013577 S\n0.223483 0.058818 0.513577 S\n0.795878 0.441182 0.986423 S\n0.776517 0.941182 0.486423 S\n0.525209 0.342555 0.892317 S\n0.239919 0.842555 0.392317 S\n0.474791 0.657445 0.107683 S\n0.760081 0.157445 0.607683 S\n0.477491 0.393562 0.173053 S\n0.955894 0.893562 0.673053 S\n0.522509 0.606438 0.826947 S\n0.044106 0.106438 0.326947 S\n0.196162 0.106105 0.951469 Br\n0.746263 0.606105 0.451469 Br\n0.803838 0.893895 0.048531 Br\n0.253737 0.393895 0.548531 Br\n0.916177 0.566131 0.162000 N\n0.355692 0.066131 0.662000 N\n0.083823 0.433869 0.838000 N\n0.644308 0.933869 0.338000 N\n0.099127 0.602927 0.223261 N\n0.074684 0.102927 0.723261 N\n0.900873 0.397073 0.776739 N\n0.925316 0.897073 0.276739 N\n0.598949 0.119816 0.908599 N\n0.372637 0.619816 0.408599 N\n0.401051 0.880184 0.091401 N\n0.627363 0.380184 0.591401 N\n0.763993 0.185888 0.961820 N\n0.088298 0.685888 0.461820 N\n0.236007 0.814112 0.038180 N\n0.911702 0.314112 0.538180 N\n0.290364 0.291362 0.133796 N\n0.284477 0.791362 0.633796 N\n0.709636 0.708638 0.866204 N\n0.715523 0.208638 0.366204 N\n0.302671 0.271405 0.306230 N\n0.119694 0.771405 0.806230 N\n0.697329 0.728595 0.693770 N\n0.880306 0.228595 0.193770 N\n",
            "nsites": 102,
            "nelements": 6,
            "elements": [
                "Ni",
                "H",
                "C",
                "S",
                "Br",
                "N"
            ],
            "chemical_system": "Br-C-H-N-Ni-S",
            "density": 1.686147638300644,
            "density_atomic": 0.07669501916487903,
            "volume": 1329.942949498719,
            "volume_molar": 7.8520623967165255,
            "formula_full": "Ni2 H48 C12 S12 Br4 N24",
            "formula_reduced": "NiH24C6S6(BrN6)2",
            "formula_anonymous": "AB2C6D6E12F24",
            "energy": -584.11509668,
            "energy_per_atom": -5.726618594901961,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -567.27909668,
            "band_gap": 1.0839,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 4.250614,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:26.298000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-1348675",
            "created_at": "2022-09-04T14:39:41.090857Z",
            "structure_string": "Ni1 H44 C12 N8 Cl2 O10\n1.0\n9.399677 0.000000 0.000000\n-1.834623 9.269719 0.000000\n-0.654540 -4.908584 8.112896\nNi H C N Cl O\n1 44 12 8 2 10\ndirect\n0.000000 0.000000 0.000000 Ni\n0.863511 0.708991 0.186965 H\n0.136489 0.291009 0.813035 H\n0.806578 0.833988 0.220190 H\n0.193422 0.166012 0.779810 H\n0.876343 0.058112 0.679259 H\n0.123657 0.941888 0.320741 H\n0.807421 0.883502 0.803304 H\n0.192579 0.116498 0.196696 H\n0.796915 0.233396 0.854730 H\n0.203085 0.766604 0.145270 H\n0.881106 0.220023 0.029198 H\n0.118894 0.779977 0.970802 H\n0.548166 0.315905 0.672483 H\n0.451834 0.684095 0.327517 H\n0.667543 0.465853 0.628952 H\n0.332457 0.534147 0.371048 H\n0.588435 0.722589 0.777319 H\n0.411565 0.277411 0.222681 H\n0.704408 0.729537 0.680568 H\n0.295592 0.270463 0.319432 H\n0.985298 0.822169 0.625447 H\n0.014702 0.177831 0.374553 H\n0.143735 0.962538 0.630092 H\n0.856265 0.037462 0.369908 H\n0.362050 0.944981 0.561696 H\n0.637950 0.055019 0.438304 H\n0.369835 0.795813 0.499255 H\n0.630165 0.204187 0.500745 H\n0.361458 0.649245 0.990807 H\n0.638542 0.350755 0.009193 H\n0.361436 0.862541 0.840428 H\n0.638564 0.137459 0.159572 H\n0.992063 0.623612 0.545521 H\n0.007937 0.376388 0.454479 H\n0.157125 0.609678 0.492138 H\n0.842875 0.390322 0.507862 H\n0.368855 0.448165 0.909917 H\n0.631145 0.551835 0.090083 H\n0.371825 0.510415 0.699482 H\n0.628175 0.489585 0.300518 H\n0.150973 0.466258 0.982113 H\n0.849027 0.533742 0.017887 H\n0.988979 0.541588 0.824918 H\n0.011021 0.458412 0.175082 H\n0.106508 0.836908 0.652054 C\n0.893492 0.163092 0.347946 C\n0.326200 0.819844 0.580845 C\n0.673800 0.180156 0.419155 C\n0.323189 0.737244 0.861408 C\n0.676811 0.262756 0.138592 C\n0.113537 0.634704 0.572911 C\n0.886463 0.365296 0.427089 C\n0.329378 0.535936 0.780823 C\n0.670622 0.464064 0.219177 C\n0.110227 0.553628 0.853375 C\n0.889773 0.446372 0.146625 C\n0.163008 0.804730 0.540554 N\n0.836992 0.195270 0.459446 N\n0.384221 0.703477 0.754067 N\n0.615779 0.296523 0.245933 N\n0.159761 0.722116 0.826878 N\n0.840239 0.277884 0.173122 N\n0.166217 0.515211 0.745954 N\n0.833783 0.484789 0.254046 N\n0.688905 0.734145 0.441411 Cl\n0.311095 0.265855 0.558589 Cl\n0.847303 0.826886 0.138550 O\n0.152697 0.173114 0.861450 O\n0.883650 0.975018 0.797822 O\n0.116350 0.024982 0.202178 O\n0.889061 0.198651 0.939401 O\n0.110939 0.801349 0.060599 O\n0.652681 0.347861 0.705792 O\n0.347319 0.652139 0.294208 O\n0.697336 0.728086 0.782777 O\n0.302664 0.271914 0.217223 O\n",
            "nsites": 77,
            "nelements": 6,
            "elements": [
                "Ni",
                "H",
                "C",
                "N",
                "Cl",
                "O"
            ],
            "chemical_system": "C-Cl-H-N-Ni-O",
            "density": 1.3862371265041817,
            "density_atomic": 0.10892694336671961,
            "volume": 706.8958112665242,
            "volume_molar": 5.528605296235588,
            "formula_full": "Ni1 H44 C12 N8 Cl2 O10",
            "formula_reduced": "NiH44C12N8(ClO5)2",
            "formula_anonymous": "AB2C8D10E12F44",
            "energy": -297.9645694,
            "energy_per_atom": -3.869669732467533,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -288.5535694,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.1242948,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:23.761000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1196382",
            "created_at": "2022-09-04T14:41:32.488995Z",
            "structure_string": "Ni1 H44 C12 N8 Cl2 O10\n1.0\n9.700243 0.000000 0.000000\n-4.748358 -8.824605 0.000000\n-2.128133 0.542874 -10.206133\nNi H C N Cl O\n1 44 12 8 2 10\ndirect\n0.500000 0.000000 0.500000 Ni\n0.460279 0.211845 0.624930 H\n0.539721 0.788155 0.375070 H\n0.627095 0.225909 0.703773 H\n0.372905 0.774091 0.296227 H\n0.666199 0.280102 0.366996 H\n0.333801 0.719898 0.633004 H\n0.710669 0.153467 0.346821 H\n0.289331 0.846533 0.653179 H\n0.083922 0.861050 0.395672 H\n0.916078 0.138950 0.604328 H\n0.294916 0.006461 0.330891 H\n0.705084 0.993539 0.669109 H\n0.866955 0.438618 0.833311 H\n0.133045 0.561382 0.166689 H\n0.830119 0.302955 0.922444 H\n0.169881 0.697045 0.077556 H\n0.317670 0.355833 0.968948 H\n0.682330 0.644167 0.031052 H\n0.060778 0.269070 0.185546 H\n0.939222 0.730930 0.814454 H\n0.670951 0.567525 0.481562 H\n0.329049 0.432475 0.518438 H\n0.522587 0.489409 0.333983 H\n0.477413 0.510591 0.666017 H\n0.510953 0.653526 0.164682 H\n0.489047 0.346474 0.835318 H\n0.677991 0.836639 0.161910 H\n0.322009 0.163361 0.838090 H\n0.849658 0.827314 0.505406 H\n0.150342 0.172686 0.494594 H\n0.880974 0.943319 0.368842 H\n0.119026 0.056681 0.631158 H\n0.797049 0.491488 0.143322 H\n0.202951 0.508512 0.856678 H\n0.592142 0.418617 0.152557 H\n0.407858 0.581383 0.847443 H\n0.023625 0.927009 0.081458 H\n0.976375 0.072991 0.918542 H\n0.969222 0.864777 0.119825 H\n0.030778 0.135223 0.880175 H\n0.930592 0.600949 0.492869 H\n0.069408 0.399051 0.507131 H\n0.001350 0.599771 0.348166 H\n0.998650 0.400229 0.651834 H\n0.649037 0.569114 0.374170 C\n0.350963 0.430886 0.625830 C\n0.643356 0.720264 0.192766 C\n0.356644 0.279736 0.807234 C\n0.851045 0.827703 0.398973 C\n0.148955 0.172297 0.601027 C\n0.714022 0.516160 0.182567 C\n0.285978 0.483840 0.817433 C\n0.289035 0.145441 0.175300 C\n0.710965 0.854559 0.824700 C\n0.920485 0.627678 0.387321 C\n0.079515 0.372322 0.612679 C\n0.682754 0.723137 0.336214 N\n0.317246 0.276863 0.663786 N\n0.752089 0.521104 0.326055 N\n0.247911 0.478896 0.673945 N\n0.724798 0.658474 0.129851 N\n0.275202 0.341526 0.870149 N\n0.961875 0.784176 0.364815 N\n0.038125 0.215824 0.635185 N\n0.943119 0.296027 0.186187 Cl\n0.056881 0.703973 0.813813 Cl\n0.548072 0.187691 0.621206 O\n0.451928 0.812309 0.378794 O\n0.619691 0.169770 0.348075 O\n0.380309 0.830230 0.651925 O\n0.290862 0.991716 0.423240 O\n0.709138 0.008284 0.576760 O\n0.778712 0.348643 0.858866 O\n0.221288 0.651357 0.141134 O\n0.255387 0.240605 0.178297 O\n0.744613 0.759395 0.821703 O\n",
            "nsites": 77,
            "nelements": 6,
            "elements": [
                "Ni",
                "H",
                "C",
                "N",
                "Cl",
                "O"
            ],
            "chemical_system": "C-Cl-H-N-Ni-O",
            "density": 1.1216408606129868,
            "density_atomic": 0.08813565021872967,
            "volume": 873.65328115134,
            "volume_molar": 6.83280913575224,
            "formula_full": "Ni1 H44 C12 N8 Cl2 O10",
            "formula_reduced": "NiH44C12N8(ClO5)2",
            "formula_anonymous": "AB2C8D10E12F44",
            "energy": -418.06410749,
            "energy_per_atom": -5.429403993376623,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -408.65310749,
            "band_gap": 1.7314,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 2.0000516,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:26.989000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1180427",
            "created_at": "2022-09-04T14:45:26.953797Z",
            "structure_string": "Ni1 H44 C12 N8 Cl2 O10\n1.0\n9.109681 -0.408111 -1.553460\n-1.983001 7.313032 -4.826650\n-0.797039 0.612143 11.152082\nNi H C N Cl O\n1 44 12 8 2 10\ndirect\n0.500000 0.500000 0.500000 Ni\n0.653958 0.270314 0.389725 H\n0.346042 0.729686 0.610275 H\n0.672107 0.455402 0.721206 H\n0.327893 0.544598 0.278794 H\n0.410959 0.382190 0.739269 H\n0.589041 0.617810 0.260731 H\n0.366794 0.586814 0.663735 H\n0.633206 0.413186 0.336265 H\n0.401858 0.195947 0.033097 H\n0.598142 0.804053 0.966903 H\n0.170198 0.034001 0.316804 H\n0.829802 0.965999 0.683196 H\n0.807549 0.408392 0.873113 H\n0.192451 0.591608 0.126887 H\n0.923843 0.525481 0.844470 H\n0.076157 0.474519 0.155530 H\n0.903442 0.950600 0.210181 H\n0.096558 0.049400 0.789819 H\n0.242294 0.933676 0.204247 H\n0.757706 0.066324 0.795753 H\n0.506538 0.096060 0.691889 H\n0.493462 0.903940 0.308111 H\n0.329659 0.008491 0.538225 H\n0.670341 0.991509 0.461775 H\n0.103614 0.799225 0.504623 H\n0.896386 0.200775 0.495377 H\n0.094458 0.762429 0.646621 H\n0.905542 0.237571 0.353379 H\n0.516547 0.008891 0.859789 H\n0.483453 0.991109 0.140211 H\n0.341680 0.880819 0.856111 H\n0.658320 0.119181 0.143889 H\n0.122033 0.277683 0.746394 H\n0.877967 0.722317 0.253606 H\n0.119958 0.128418 0.567550 H\n0.880042 0.871582 0.432450 H\n0.166035 0.983443 0.020395 H\n0.833965 0.016557 0.979605 H\n0.115146 0.194033 0.092060 H\n0.884854 0.805967 0.907940 H\n0.528269 0.333378 0.927109 H\n0.471731 0.666622 0.072891 H\n0.356563 0.392645 0.953889 H\n0.643437 0.607355 0.046111 H\n0.377588 0.057714 0.654918 C\n0.622412 0.942286 0.345082 C\n0.140120 0.862641 0.623547 C\n0.859880 0.137359 0.376453 C\n0.388495 0.984483 0.836382 C\n0.611505 0.015517 0.163618 C\n0.155353 0.161688 0.680776 C\n0.844647 0.838312 0.319224 C\n0.075932 0.048171 0.030458 C\n0.924068 0.951829 0.969542 C\n0.399154 0.282654 0.894478 C\n0.600846 0.717346 0.105522 C\n0.315955 0.916089 0.679351 N\n0.684045 0.083911 0.320649 N\n0.330562 0.214730 0.737615 N\n0.669438 0.785270 0.262385 N\n0.075211 0.008376 0.682870 N\n0.924789 0.991624 0.317130 N\n0.351713 0.144203 0.924063 N\n0.648287 0.855797 0.075937 N\n0.180055 0.656492 0.968166 Cl\n0.819945 0.343508 0.031834 Cl\n0.559841 0.441481 0.655168 O\n0.440159 0.558519 0.344832 O\n0.347570 0.599234 0.578034 O\n0.652430 0.400766 0.421966 O\n0.523411 0.494891 0.243524 O\n0.476589 0.505109 0.756476 O\n0.813907 0.444309 0.801935 O\n0.186093 0.555691 0.198065 O\n0.272027 0.035269 0.304822 O\n0.727973 0.964731 0.695178 O\n",
            "nsites": 77,
            "nelements": 6,
            "elements": [
                "Ni",
                "H",
                "C",
                "N",
                "Cl",
                "O"
            ],
            "chemical_system": "C-Cl-H-N-Ni-O",
            "density": 1.3029255803128055,
            "density_atomic": 0.1023805366226823,
            "volume": 752.096077438812,
            "volume_molar": 5.88211486153297,
            "formula_full": "Ni1 H44 C12 N8 Cl2 O10",
            "formula_reduced": "NiH44C12N8(ClO5)2",
            "formula_anonymous": "AB2C8D10E12F44",
            "energy": -418.9717679,
            "energy_per_atom": -5.441191790909091,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -409.5607679,
            "band_gap": 1.4526,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.9994947,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:59.734000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1202313",
            "created_at": "2022-09-04T14:44:20.489254Z",
            "structure_string": "Ni2 H28 C4 N20 Cl4 O12\n1.0\n7.964117 0.000000 0.000000\n0.000000 13.226725 0.000000\n-3.917671 0.000000 7.087068\nNi H C N Cl O\n2 28 4 20 4 12\ndirect\n0.000000 0.000000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.281447 0.868058 0.653233 H\n0.281447 0.631942 0.153233 H\n0.718553 0.131942 0.346767 H\n0.718553 0.368058 0.846767 H\n0.259550 0.056210 0.096903 H\n0.259550 0.443790 0.596903 H\n0.740450 0.943790 0.903097 H\n0.740450 0.556210 0.403097 H\n0.102583 0.816431 0.464840 H\n0.102583 0.683569 0.964840 H\n0.897417 0.183569 0.535160 H\n0.897417 0.316431 0.035160 H\n0.360935 0.845937 0.400129 H\n0.360935 0.654063 0.900129 H\n0.639065 0.154063 0.599871 H\n0.639065 0.345937 0.099871 H\n0.399564 0.212167 0.646670 H\n0.399564 0.287833 0.146670 H\n0.600436 0.787833 0.353330 H\n0.600436 0.712167 0.853330 H\n0.418290 0.953014 0.201626 H\n0.418290 0.546986 0.701626 H\n0.581710 0.046986 0.798374 H\n0.581710 0.453014 0.298374 H\n0.419749 0.289842 0.508963 H\n0.419749 0.210158 0.008963 H\n0.580251 0.710158 0.491037 H\n0.580251 0.789842 0.991037 H\n0.221619 0.982335 0.293365 C\n0.221619 0.517665 0.793365 C\n0.778381 0.017665 0.706635 C\n0.778381 0.482335 0.206635 C\n0.180609 0.882046 0.516020 N\n0.180609 0.617954 0.016020 N\n0.819391 0.117954 0.483980 N\n0.819391 0.382046 0.983980 N\n0.275325 0.902570 0.410803 N\n0.275325 0.597430 0.910803 N\n0.724675 0.097430 0.589197 N\n0.724675 0.402570 0.089197 N\n0.303307 0.995504 0.185420 N\n0.303307 0.504496 0.685420 N\n0.696693 0.004496 0.814580 N\n0.696693 0.495504 0.314580 N\n0.086155 0.043306 0.300381 N\n0.086155 0.456694 0.800381 N\n0.913845 0.956694 0.699619 N\n0.913845 0.543306 0.199619 N\n0.024488 0.127242 0.191762 N\n0.024488 0.372758 0.691762 N\n0.975512 0.872758 0.808238 N\n0.975512 0.627242 0.308238 N\n0.713653 0.904909 0.242661 Cl\n0.713653 0.595091 0.742661 Cl\n0.286347 0.095091 0.757339 Cl\n0.286347 0.404909 0.257339 Cl\n0.907330 0.180677 0.213580 O\n0.907330 0.319323 0.713580 O\n0.092670 0.819323 0.786420 O\n0.092670 0.680677 0.286420 O\n0.079202 0.150340 0.074550 O\n0.079202 0.349660 0.574550 O\n0.920798 0.849660 0.925450 O\n0.920798 0.650340 0.425450 O\n0.494155 0.247985 0.621504 O\n0.494155 0.252015 0.121504 O\n0.505845 0.752015 0.378496 O\n0.505845 0.747985 0.878496 O\n",
            "nsites": 70,
            "nelements": 6,
            "elements": [
                "Ni",
                "H",
                "C",
                "N",
                "Cl",
                "O"
            ],
            "chemical_system": "C-Cl-H-N-Ni-O",
            "density": 1.796320647276642,
            "density_atomic": 0.09376515686327884,
            "volume": 746.5459701845178,
            "volume_molar": 6.4225784518027575,
            "formula_full": "Ni2 H28 C4 N20 Cl4 O12",
            "formula_reduced": "NiH14C2N10(ClO3)2",
            "formula_anonymous": "AB2C2D6E10F14",
            "energy": -420.39028449,
            "energy_per_atom": -6.005575492714286,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -397.38828449,
            "band_gap": 3.1647,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 4.0590264,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:28.020000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1180373",
            "created_at": "2022-09-04T14:40:31.476004Z",
            "structure_string": "Ni4 H56 C12 N4 Cl12 O8\n1.0\n7.109295 0.000000 0.000000\n0.000000 9.022154 0.000000\n0.000000 0.000000 16.670155\nNi H C N Cl O\n4 56 12 4 12 8\ndirect\n0.500000 0.000000 0.000000 Ni\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.304100 0.708672 0.945919 H\n0.121839 0.497787 0.136994 H\n0.378161 0.497787 0.136994 H\n0.250000 0.204931 0.040487 H\n0.069284 0.227017 0.486532 H\n0.878161 0.502213 0.863006 H\n0.453198 0.300922 0.291421 H\n0.621839 0.997787 0.363006 H\n0.090965 0.142174 0.230200 H\n0.546802 0.699078 0.708579 H\n0.538452 0.201550 0.689391 H\n0.621839 0.502213 0.863006 H\n0.961548 0.201550 0.689391 H\n0.909035 0.642174 0.269800 H\n0.121839 0.002213 0.636994 H\n0.930716 0.772983 0.513468 H\n0.804100 0.208672 0.554081 H\n0.038452 0.701550 0.810609 H\n0.069284 0.272983 0.986532 H\n0.750000 0.443549 0.776378 H\n0.453198 0.199078 0.791421 H\n0.953198 0.699078 0.708579 H\n0.695900 0.291328 0.054081 H\n0.250000 0.556451 0.223622 H\n0.750000 0.704931 0.459513 H\n0.250000 0.943549 0.723622 H\n0.546802 0.800922 0.208579 H\n0.878161 0.997787 0.363006 H\n0.304100 0.791328 0.445919 H\n0.046802 0.199078 0.791421 H\n0.750000 0.795069 0.959513 H\n0.590965 0.642174 0.269800 H\n0.195900 0.708672 0.945919 H\n0.750000 0.056451 0.276378 H\n0.038452 0.798450 0.310609 H\n0.430716 0.227017 0.486532 H\n0.409035 0.142174 0.230200 H\n0.953198 0.800922 0.208579 H\n0.569284 0.727017 0.013468 H\n0.090965 0.357826 0.730200 H\n0.909035 0.857826 0.769800 H\n0.250000 0.295069 0.540487 H\n0.461548 0.798450 0.310609 H\n0.930716 0.727017 0.013468 H\n0.409035 0.357826 0.730200 H\n0.804100 0.291328 0.054081 H\n0.461548 0.701550 0.810609 H\n0.046802 0.300922 0.291421 H\n0.961548 0.298450 0.189391 H\n0.430716 0.272983 0.986532 H\n0.378161 0.002213 0.636994 H\n0.695900 0.208672 0.554081 H\n0.538452 0.298450 0.189391 H\n0.590965 0.857826 0.769800 H\n0.195900 0.791328 0.445919 H\n0.569284 0.772983 0.513468 H\n0.076312 0.262882 0.229159 C\n0.576312 0.762882 0.270841 C\n0.250000 0.021973 0.672240 C\n0.423688 0.237118 0.729159 C\n0.923688 0.737118 0.770841 C\n0.576312 0.737118 0.770841 C\n0.750000 0.978027 0.327760 C\n0.750000 0.521973 0.827760 C\n0.423688 0.262882 0.229159 C\n0.250000 0.478027 0.172240 C\n0.923688 0.762882 0.270841 C\n0.076312 0.237118 0.729159 C\n0.250000 0.329824 0.204015 N\n0.250000 0.170176 0.704015 N\n0.750000 0.670176 0.795985 N\n0.750000 0.829824 0.295985 N\n0.750000 0.560333 0.103560 Cl\n0.750000 0.505476 0.605857 Cl\n0.250000 0.595588 0.590842 Cl\n0.250000 0.904412 0.090842 Cl\n0.750000 0.404412 0.409158 Cl\n0.250000 0.494524 0.394143 Cl\n0.250000 0.005476 0.894143 Cl\n0.750000 0.095588 0.909158 Cl\n0.250000 0.060333 0.396440 Cl\n0.750000 0.939667 0.603560 Cl\n0.750000 0.994524 0.105857 Cl\n0.250000 0.439667 0.896440 Cl\n0.419791 0.206297 0.032757 O\n0.419791 0.293703 0.532757 O\n0.580209 0.706297 0.467243 O\n0.080209 0.293703 0.532757 O\n0.919791 0.793703 0.967243 O\n0.080209 0.206297 0.032757 O\n0.580209 0.793703 0.967243 O\n0.919791 0.706297 0.467243 O\n",
            "nsites": 96,
            "nelements": 6,
            "elements": [
                "Ni",
                "H",
                "C",
                "N",
                "Cl",
                "O"
            ],
            "chemical_system": "C-Cl-H-N-Ni-O",
            "density": 1.6225862100284532,
            "density_atomic": 0.08978314695450575,
            "volume": 1069.2429844171581,
            "volume_molar": 6.7074289154193885,
            "formula_full": "Ni4 H56 C12 N4 Cl12 O8",
            "formula_reduced": "NiH14C3NCl3O2",
            "formula_anonymous": "ABC2D3E3F14",
            "energy": -462.18361632000006,
            "energy_per_atom": -4.81441267,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -437.7116163200001,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 15.4779624,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:50.815000Z",
            "spacegroup": 62
        }
    ]
}