GET /third-parties/MatprojStructure/?format=api&ordering=volume&page=11477
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=volume&page=11478",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=volume&page=11476",
    "results": [
        {
            "id": "mp-542081",
            "created_at": "2022-09-04T14:40:17.338331Z",
            "structure_string": "K8 La4 P8 S28\n1.0\n6.930518 0.000000 0.000000\n0.000000 9.277863 0.000000\n0.000000 6.902329 20.205774\nK La P S\n8 4 8 28\ndirect\n0.530143 0.340260 0.310322 K\n0.030143 0.659740 0.189678 K\n0.469857 0.659740 0.689678 K\n0.969857 0.340260 0.810322 K\n0.012499 0.248300 0.489744 K\n0.512499 0.751700 0.010256 K\n0.987501 0.751700 0.510256 K\n0.487501 0.248300 0.989744 K\n0.473425 0.839394 0.349532 La\n0.973425 0.160606 0.150468 La\n0.526575 0.160606 0.650468 La\n0.026575 0.839394 0.849532 La\n0.016940 0.072275 0.330780 P\n0.516940 0.927725 0.169220 P\n0.983060 0.927725 0.669220 P\n0.483060 0.072275 0.830780 P\n0.510793 0.460469 0.456088 P\n0.010793 0.539531 0.043912 P\n0.489207 0.539531 0.543912 P\n0.989207 0.460469 0.956088 P\n0.466174 0.767964 0.505513 S\n0.966174 0.232036 0.994487 S\n0.533826 0.232036 0.494487 S\n0.033826 0.767964 0.005513 S\n0.073780 0.917267 0.281790 S\n0.573780 0.082733 0.218210 S\n0.926220 0.082733 0.718210 S\n0.426220 0.917267 0.781790 S\n0.488141 0.716200 0.239182 S\n0.988141 0.283800 0.260818 S\n0.511859 0.283800 0.760818 S\n0.011859 0.716200 0.739182 S\n0.777090 0.021845 0.389775 S\n0.277090 0.978155 0.110225 S\n0.222910 0.978155 0.610225 S\n0.722910 0.021845 0.889775 S\n0.268362 0.540023 0.401277 S\n0.768362 0.459977 0.098723 S\n0.731638 0.459977 0.598723 S\n0.231638 0.540023 0.901277 S\n0.744204 0.568724 0.403699 S\n0.244204 0.431276 0.096301 S\n0.255796 0.431276 0.596301 S\n0.755796 0.568724 0.903699 S\n0.246565 0.066306 0.391584 S\n0.746565 0.933694 0.108416 S\n0.753435 0.933694 0.608416 S\n0.253435 0.066306 0.891584 S\n",
            "nsites": 48,
            "nelements": 4,
            "elements": [
                "K",
                "La",
                "P",
                "S"
            ],
            "chemical_system": "K-La-P-S",
            "density": 2.5740879644143626,
            "density_atomic": 0.03694469581506656,
            "volume": 1299.2392802548109,
            "volume_molar": 16.30042047211575,
            "formula_full": "K8 La4 P8 S28",
            "formula_reduced": "K2LaP2S7",
            "formula_anonymous": "AB2C2D7",
            "energy": -252.99008821,
            "energy_per_atom": -5.270626837708334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -238.90608821,
            "band_gap": 2.1148,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0007766,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:52.905000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1238169",
            "created_at": "2022-09-04T14:46:36.720539Z",
            "structure_string": "Hg12 H16 I8 O48\n1.0\n13.888129 0.000000 0.000000\n0.000000 9.306275 0.000000\n0.000000 0.361493 10.052543\nHg H I O\n12 16 8 48\ndirect\n0.082022 0.036631 0.643597 Hg\n0.582022 0.963369 0.856403 Hg\n0.917978 0.963369 0.356403 Hg\n0.417978 0.036631 0.143597 Hg\n0.471758 0.205413 0.485366 Hg\n0.971758 0.794587 0.014634 Hg\n0.528242 0.794587 0.514634 Hg\n0.028242 0.205413 0.985366 Hg\n0.406557 0.652428 0.935108 Hg\n0.906557 0.347572 0.564892 Hg\n0.593443 0.347572 0.064892 Hg\n0.093443 0.652428 0.435108 Hg\n0.745548 0.907245 0.500883 H\n0.245548 0.092755 0.999117 H\n0.254452 0.092755 0.499117 H\n0.754452 0.907245 0.000883 H\n0.343368 0.211762 0.817116 H\n0.843368 0.788238 0.682884 H\n0.656632 0.788238 0.182884 H\n0.156632 0.211762 0.317116 H\n0.278242 0.642342 0.498189 H\n0.778242 0.357658 0.001811 H\n0.721758 0.357658 0.501811 H\n0.221758 0.642342 0.998189 H\n0.161576 0.843900 0.957979 H\n0.661576 0.156100 0.542021 H\n0.838424 0.156100 0.042021 H\n0.338424 0.843900 0.457979 H\n0.840307 0.033463 0.794610 I\n0.340307 0.966537 0.705390 I\n0.159693 0.966537 0.205390 I\n0.659693 0.033463 0.294610 I\n0.119609 0.516348 0.778654 I\n0.619609 0.483652 0.721346 I\n0.880391 0.483652 0.221346 I\n0.380391 0.516348 0.278654 I\n0.468880 0.040158 0.656379 O\n0.968880 0.959842 0.843621 O\n0.531120 0.959842 0.343621 O\n0.031120 0.040158 0.156379 O\n0.306969 0.113922 0.562976 O\n0.806969 0.886078 0.937024 O\n0.693031 0.886078 0.437024 O\n0.193031 0.113922 0.062976 O\n0.699784 0.079258 0.786216 O\n0.199784 0.920742 0.713784 O\n0.300216 0.920742 0.213784 O\n0.800216 0.079258 0.286216 O\n0.950644 0.128338 0.596991 O\n0.450644 0.871662 0.903009 O\n0.049356 0.871662 0.403009 O\n0.549356 0.128338 0.096991 O\n0.319635 0.116038 0.845013 O\n0.819635 0.883962 0.654987 O\n0.680365 0.883962 0.154987 O\n0.180365 0.116038 0.345013 O\n0.857942 0.194666 0.953796 O\n0.357942 0.805334 0.546204 O\n0.142058 0.805334 0.046204 O\n0.642058 0.194666 0.453796 O\n0.118799 0.323569 0.832195 O\n0.618799 0.676431 0.667805 O\n0.881201 0.676431 0.167805 O\n0.381201 0.323569 0.332195 O\n0.042234 0.503218 0.627088 O\n0.542234 0.496782 0.872912 O\n0.957766 0.496782 0.372912 O\n0.457766 0.503218 0.127088 O\n0.285379 0.398250 0.635019 O\n0.785379 0.601750 0.864981 O\n0.714621 0.601750 0.364981 O\n0.214621 0.398250 0.135019 O\n0.032161 0.590786 0.889159 O\n0.532161 0.409214 0.610841 O\n0.967839 0.409214 0.110841 O\n0.467839 0.590786 0.389159 O\n0.254759 0.579225 0.935641 O\n0.754759 0.420775 0.564359 O\n0.745241 0.420775 0.064359 O\n0.245241 0.579225 0.435641 O\n0.149977 0.409299 0.219201 O\n0.649977 0.590701 0.280799 O\n0.850023 0.590701 0.780799 O\n0.350023 0.409299 0.719201 O\n",
            "nsites": 84,
            "nelements": 4,
            "elements": [
                "Hg",
                "H",
                "I",
                "O"
            ],
            "chemical_system": "H-Hg-I-O",
            "density": 5.376077844899195,
            "density_atomic": 0.0646522618199409,
            "volume": 1299.2584889596487,
            "volume_molar": 9.314663695404656,
            "formula_full": "Hg12 H16 I8 O48",
            "formula_reduced": "Hg3H4(IO6)2",
            "formula_anonymous": "A2B3C4D12",
            "energy": -371.91961184,
            "energy_per_atom": -4.427614426666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -338.94361184,
            "band_gap": 0.8314999999999999,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 8.0001617,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:41.476000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-15645",
            "created_at": "2022-09-04T14:42:58.937787Z",
            "structure_string": "Ag32 Sn4 S24\n1.0\n7.708146 0.000000 0.000000\n0.000000 10.884177 0.000000\n0.000000 0.000000 15.487287\nAg Sn S\n32 4 24\ndirect\n0.519861 0.112542 0.479513 Ag\n0.980139 0.112542 0.979513 Ag\n0.480139 0.612542 0.520487 Ag\n0.361946 0.913898 0.760338 Ag\n0.138054 0.913898 0.260338 Ag\n0.861946 0.413898 0.739662 Ag\n0.019861 0.612542 0.020487 Ag\n0.638054 0.413898 0.239662 Ag\n0.271558 0.373184 0.128856 Ag\n0.728442 0.873184 0.871144 Ag\n0.228442 0.373184 0.628856 Ag\n0.771558 0.873184 0.371144 Ag\n0.876531 0.190002 0.226636 Ag\n0.123469 0.690002 0.773364 Ag\n0.623469 0.190002 0.726636 Ag\n0.376531 0.690002 0.273364 Ag\n0.603787 0.193455 0.090410 Ag\n0.396213 0.693455 0.909590 Ag\n0.234882 0.832489 0.060832 Ag\n0.103787 0.693455 0.409590 Ag\n0.009636 0.598612 0.227452 Ag\n0.896213 0.193455 0.590410 Ag\n0.490364 0.598612 0.727452 Ag\n0.509636 0.098612 0.272548 Ag\n0.566353 0.518000 0.064880 Ag\n0.433647 0.018000 0.935120 Ag\n0.933647 0.518000 0.564880 Ag\n0.066353 0.018000 0.435120 Ag\n0.734882 0.332489 0.439168 Ag\n0.265118 0.832489 0.560832 Ag\n0.765118 0.332489 0.939168 Ag\n0.990364 0.098612 0.772548 Ag\n0.734610 0.848657 0.124966 Sn\n0.265390 0.348657 0.875034 Sn\n0.765390 0.848657 0.624966 Sn\n0.234610 0.348657 0.375034 Sn\n0.768389 0.105612 0.375124 S\n0.231611 0.605612 0.624876 S\n0.731611 0.105612 0.875124 S\n0.268389 0.605612 0.124876 S\n0.809143 0.364780 0.111732 S\n0.190857 0.864780 0.888268 S\n0.690857 0.364780 0.611732 S\n0.309143 0.864780 0.388268 S\n0.724527 0.719278 0.250977 S\n0.275473 0.219278 0.749023 S\n0.775473 0.719278 0.750977 S\n0.224527 0.219278 0.249023 S\n0.989808 0.979462 0.126753 S\n0.010192 0.479462 0.873247 S\n0.510192 0.979462 0.626753 S\n0.489808 0.479462 0.373247 S\n0.768218 0.717849 0.499016 S\n0.231782 0.217849 0.500984 S\n0.731782 0.717849 0.999016 S\n0.268218 0.217849 0.000984 S\n0.983724 0.482080 0.379305 S\n0.016276 0.982080 0.620695 S\n0.516276 0.482080 0.879305 S\n0.483724 0.982080 0.120695 S\n",
            "nsites": 60,
            "nelements": 3,
            "elements": [
                "Ag",
                "Sn",
                "S"
            ],
            "chemical_system": "Ag-S-Sn",
            "density": 6.001684753900643,
            "density_atomic": 0.046177495658123346,
            "volume": 1299.3342134491666,
            "volume_molar": 13.041289212791277,
            "formula_full": "Ag32 Sn4 S24",
            "formula_reduced": "Ag8SnS6",
            "formula_anonymous": "AB6C8",
            "energy": -225.28836001,
            "energy_per_atom": -3.7548060001666665,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -213.21636001,
            "band_gap": 0.5350999999999999,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0043342,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:00.468000Z",
            "spacegroup": 33
        },
        {
            "id": "mp-560684",
            "created_at": "2022-09-04T14:43:55.476508Z",
            "structure_string": "La12 Mo24 O60\n1.0\n4.447169 -7.702722 0.000000\n4.447169 7.702722 0.000000\n0.000000 0.000000 18.967694\nLa Mo O\n12 24 60\ndirect\n0.333333 0.666667 0.998724 La\n0.666667 0.333333 0.498724 La\n0.009022 0.504511 0.348606 La\n0.504511 0.009022 0.848606 La\n0.495489 0.504511 0.348606 La\n0.990978 0.495489 0.848606 La\n0.000000 0.000000 0.273012 La\n0.504511 0.495489 0.848606 La\n0.666667 0.333333 0.012294 La\n0.333333 0.666667 0.512294 La\n0.000000 0.000000 0.773011 La\n0.495489 0.990978 0.348606 La\n0.892382 0.784763 0.052912 Mo\n0.784942 0.215058 0.683755 Mo\n0.106195 0.893805 0.940004 Mo\n0.448734 0.897468 0.675847 Mo\n0.551266 0.448734 0.175847 Mo\n0.893805 0.787609 0.440004 Mo\n0.215058 0.784942 0.183755 Mo\n0.784942 0.569885 0.683755 Mo\n0.551266 0.102532 0.175847 Mo\n0.569885 0.784942 0.183755 Mo\n0.215058 0.430115 0.183755 Mo\n0.897468 0.448734 0.175847 Mo\n0.893805 0.106195 0.440004 Mo\n0.107618 0.215237 0.552912 Mo\n0.215237 0.107618 0.052912 Mo\n0.212391 0.106195 0.440004 Mo\n0.430115 0.215058 0.683755 Mo\n0.448734 0.551266 0.675847 Mo\n0.102532 0.551266 0.675847 Mo\n0.107618 0.892382 0.552912 Mo\n0.106195 0.212391 0.940004 Mo\n0.784763 0.892382 0.552912 Mo\n0.787609 0.893805 0.940004 Mo\n0.892382 0.107618 0.052912 Mo\n0.102356 0.897644 0.369823 O\n0.897644 0.102356 0.869823 O\n0.565738 0.434262 0.616884 O\n0.004722 0.668501 0.246171 O\n0.204713 0.102356 0.869823 O\n0.105064 0.210127 0.117608 O\n0.675131 0.666882 0.991457 O\n0.336221 0.331499 0.746171 O\n0.105064 0.894936 0.117608 O\n0.225392 0.450783 0.609720 O\n0.894936 0.789873 0.617608 O\n0.774608 0.225392 0.109720 O\n0.453985 0.226993 0.390815 O\n0.666667 0.333333 0.233540 O\n0.773007 0.226993 0.390815 O\n0.789873 0.894936 0.117608 O\n0.666667 0.333333 0.893505 O\n0.666882 0.675131 0.491457 O\n0.226993 0.773007 0.890815 O\n0.331499 0.336221 0.246171 O\n0.324869 0.333118 0.491457 O\n0.225392 0.774608 0.609720 O\n0.795287 0.897644 0.369823 O\n0.549217 0.774608 0.609720 O\n0.675131 0.008249 0.991457 O\n0.668501 0.663779 0.746171 O\n0.666882 0.991751 0.491457 O\n0.331499 0.995278 0.246171 O\n0.336221 0.004722 0.746171 O\n0.666667 0.333333 0.741238 O\n0.210127 0.105064 0.617608 O\n0.333333 0.666667 0.241238 O\n0.333333 0.666667 0.393505 O\n0.897644 0.795287 0.869823 O\n0.434262 0.565738 0.116884 O\n0.324869 0.991751 0.491457 O\n0.131476 0.565738 0.116884 O\n0.774608 0.549217 0.109720 O\n0.991751 0.324869 0.991457 O\n0.333333 0.666667 0.733540 O\n0.102356 0.204713 0.369823 O\n0.995278 0.331499 0.746171 O\n0.868524 0.434262 0.616884 O\n0.004722 0.336221 0.246171 O\n0.450783 0.225392 0.109720 O\n0.333118 0.324869 0.991457 O\n0.894936 0.105064 0.617608 O\n0.546015 0.773007 0.890815 O\n0.663779 0.668501 0.246171 O\n0.008249 0.333118 0.491457 O\n0.773007 0.546015 0.390815 O\n0.333118 0.008249 0.991457 O\n0.226993 0.453985 0.890815 O\n0.668501 0.004722 0.746171 O\n0.663779 0.995278 0.246171 O\n0.991751 0.666882 0.991457 O\n0.565738 0.131476 0.616884 O\n0.008249 0.675131 0.491457 O\n0.434262 0.868524 0.116884 O\n0.995278 0.663779 0.746171 O\n",
            "nsites": 96,
            "nelements": 3,
            "elements": [
                "La",
                "Mo",
                "O"
            ],
            "chemical_system": "La-Mo-O",
            "density": 6.298974605179213,
            "density_atomic": 0.0738752298347368,
            "volume": 1299.4883429094923,
            "volume_molar": 8.151772621854281,
            "formula_full": "La12 Mo24 O60",
            "formula_reduced": "LaMo2O5",
            "formula_anonymous": "AB2C5",
            "energy": -838.2932443999998,
            "energy_per_atom": -8.732221295833332,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -720.2252444,
            "band_gap": 0.6293999999999995,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 48.8047348,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:21.466000Z",
            "spacegroup": 186
        },
        {
            "id": "mp-1173536",
            "created_at": "2022-09-04T14:42:47.993718Z",
            "structure_string": "Si24 O52\n1.0\n7.771633 0.000000 0.000000\n0.000000 13.845002 0.000000\n0.000000 6.798696 12.078763\nSi O\n24 52\ndirect\n0.656153 0.671571 0.452531 Si\n0.343847 0.671571 0.452531 Si\n0.208534 0.460397 0.663134 Si\n0.791466 0.460397 0.663134 Si\n0.847031 0.877223 0.447230 Si\n0.152969 0.877223 0.447230 Si\n0.283828 0.880855 0.658982 Si\n0.716172 0.880855 0.658982 Si\n0.349500 0.452167 0.879699 Si\n0.650500 0.452167 0.879699 Si\n0.205993 0.664905 0.885310 Si\n0.794007 0.664905 0.885310 Si\n0.202210 0.340935 0.116872 Si\n0.797790 0.340935 0.116872 Si\n0.347835 0.550641 0.127114 Si\n0.652165 0.550641 0.127114 Si\n0.292582 0.122241 0.334834 Si\n0.707418 0.122241 0.334834 Si\n0.849386 0.122311 0.548687 Si\n0.150614 0.122311 0.548687 Si\n0.155570 0.553213 0.329981 Si\n0.844430 0.553213 0.329981 Si\n0.299503 0.337301 0.532332 Si\n0.700497 0.337301 0.532332 Si\n0.420415 0.931068 0.064904 O\n0.742659 0.632419 0.369068 O\n0.259933 0.792349 0.419036 O\n0.740067 0.792349 0.419036 O\n0.716174 0.372861 0.627685 O\n0.283426 0.584256 0.580179 O\n0.716574 0.584256 0.580179 O\n0.000000 0.461684 0.657041 O\n0.193530 0.843430 0.577621 O\n0.806470 0.843430 0.577621 O\n0.726565 0.421569 0.788039 O\n0.273435 0.421569 0.788039 O\n0.079328 0.058123 0.941168 O\n0.920672 0.058123 0.941168 O\n0.500000 0.874988 0.646887 O\n0.725356 0.573871 0.852268 O\n0.274644 0.573871 0.852268 O\n0.288163 0.355702 0.002876 O\n0.711837 0.355702 0.002876 O\n0.255314 0.788725 0.787454 O\n0.744686 0.788725 0.787454 O\n0.000000 0.654674 0.900388 O\n0.224706 0.213786 0.212857 O\n0.775294 0.213786 0.212857 O\n0.292946 0.644284 0.000548 O\n0.707054 0.644284 0.000548 O\n0.216927 0.002645 0.359706 O\n0.783073 0.002645 0.359706 O\n0.706892 0.426242 0.150983 O\n0.293108 0.426242 0.150983 O\n0.500000 0.966873 0.523644 O\n0.500000 0.139165 0.812483 O\n0.500000 0.125980 0.331091 O\n0.242117 0.579598 0.211827 O\n0.757883 0.579598 0.211827 O\n0.218850 0.155678 0.424662 O\n0.781150 0.155678 0.424662 O\n0.000000 0.808846 0.162624 O\n0.000000 0.372614 0.095462 O\n0.000000 0.883326 0.187090 O\n0.000000 0.316862 0.912212 O\n0.193596 0.423072 0.421760 O\n0.806404 0.423072 0.421760 O\n0.223445 0.999658 0.642201 O\n0.776555 0.999658 0.642201 O\n0.257341 0.632419 0.369068 O\n0.777598 0.213016 0.581780 O\n0.222402 0.213016 0.581780 O\n0.500000 0.339590 0.498184 O\n0.500000 0.178978 0.874735 O\n0.283826 0.372861 0.627685 O\n0.579585 0.931068 0.064904 O\n",
            "nsites": 76,
            "nelements": 2,
            "elements": [
                "Si",
                "O"
            ],
            "chemical_system": "O-Si",
            "density": 1.9242092631597463,
            "density_atomic": 0.0584770998463021,
            "volume": 1299.6540560279852,
            "volume_molar": 10.298289032507176,
            "formula_full": "Si24 O52",
            "formula_reduced": "Si6O13",
            "formula_anonymous": "A6B13",
            "energy": -560.5475126,
            "energy_per_atom": -7.375625165789474,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -552.1755126,
            "band_gap": 0.0835,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 2.0022322,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:49.800000Z",
            "spacegroup": 6
        },
        {
            "id": "mp-1205007",
            "created_at": "2022-09-04T14:41:54.747610Z",
            "structure_string": "K6 Sb12 Te12 H12 O24\n1.0\n0.000000 0.000000 5.831098\n13.893757 -8.021564 -1.943699\n0.000000 16.043128 -1.943699\nK Sb Te H O\n6 12 12 12 24\ndirect\n0.583394 0.820093 0.749148 K\n0.834246 0.250852 0.070945 K\n0.763301 0.929055 0.179907 K\n0.416606 0.179907 0.250852 K\n0.165754 0.749148 0.929055 K\n0.236699 0.070945 0.820093 K\n0.613716 0.975733 0.629761 Sb\n0.983955 0.370239 0.345972 Sb\n0.637983 0.654028 0.024267 Sb\n0.386284 0.024267 0.370239 Sb\n0.016045 0.629761 0.654028 Sb\n0.362017 0.345972 0.975733 Sb\n0.041680 0.819332 0.585236 Sb\n0.456443 0.414764 0.234096 Sb\n0.222347 0.765904 0.180668 Sb\n0.958320 0.180668 0.414764 Sb\n0.543557 0.585236 0.765904 Sb\n0.777653 0.234096 0.819332 Sb\n0.961707 0.902785 0.424677 Te\n0.537030 0.575323 0.478107 Te\n0.058923 0.521893 0.097215 Te\n0.038293 0.097215 0.575323 Te\n0.462970 0.424677 0.521893 Te\n0.941077 0.478107 0.902785 Te\n0.505021 0.754564 0.396923 Te\n0.108098 0.603077 0.357641 Te\n0.750458 0.642359 0.245436 Te\n0.494979 0.245436 0.603077 Te\n0.891902 0.396923 0.642359 Te\n0.249542 0.357641 0.754564 Te\n0.102719 0.847349 0.800226 H\n0.302493 0.199774 0.047123 H\n0.255370 0.952877 0.152651 H\n0.897281 0.152651 0.199774 H\n0.697507 0.800226 0.952877 H\n0.744630 0.047123 0.847349 H\n0.085607 0.949115 0.885479 H\n0.200128 0.114521 0.063636 H\n0.136493 0.936364 0.050885 H\n0.914393 0.050885 0.114521 H\n0.799872 0.885479 0.936364 H\n0.863507 0.063636 0.949115 H\n0.852215 0.912606 0.667622 O\n0.184593 0.332378 0.244984 O\n0.939609 0.755016 0.087394 O\n0.147785 0.087394 0.332378 O\n0.815407 0.667622 0.755016 O\n0.060391 0.244984 0.912606 O\n0.073310 0.767699 0.681162 O\n0.392148 0.318838 0.086537 O\n0.305610 0.913463 0.232301 O\n0.926690 0.232301 0.318838 O\n0.607852 0.681162 0.913463 O\n0.694390 0.086537 0.767699 O\n0.350562 0.912187 0.665566 O\n0.684996 0.334434 0.246621 O\n0.438375 0.753379 0.087813 O\n0.649438 0.087813 0.334434 O\n0.315004 0.665566 0.753379 O\n0.561625 0.246621 0.912187 O\n0.127065 0.887712 0.872075 O\n0.254989 0.127925 0.015636 O\n0.239353 0.984364 0.112288 O\n0.872935 0.112288 0.127925 O\n0.745011 0.872075 0.984364 O\n0.760647 0.015636 0.887712 O\n",
            "nsites": 66,
            "nelements": 5,
            "elements": [
                "K",
                "Sb",
                "Te",
                "H",
                "O"
            ],
            "chemical_system": "H-K-O-Sb-Te",
            "density": 4.628680738171487,
            "density_atomic": 0.05077908228480866,
            "volume": 1299.747790435057,
            "volume_molar": 11.859491131058933,
            "formula_full": "K6 Sb12 Te12 H12 O24",
            "formula_reduced": "KSb2Te2(HO2)2",
            "formula_anonymous": "AB2C2D2E4",
            "energy": -340.31830547,
            "energy_per_atom": -5.156337961666666,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -323.83030547,
            "band_gap": 0.5748999999999995,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0667909,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:28.869000Z",
            "spacegroup": 148
        },
        {
            "id": "mp-570146",
            "created_at": "2022-09-04T14:39:06.485575Z",
            "structure_string": "Zn2 Si8 As4 H72 C24\n1.0\n9.997024 0.000000 0.000000\n-3.015175 10.643460 0.000000\n-3.289754 -1.561406 12.217226\nZn Si As H C\n2 8 4 72 24\ndirect\n0.982554 0.113566 0.404561 Zn\n0.017446 0.886434 0.595439 Zn\n0.139264 0.829265 0.348792 Si\n0.860736 0.170735 0.651208 Si\n0.736828 0.176837 0.162204 Si\n0.730802 0.695495 0.300483 Si\n0.855608 0.693756 0.786258 Si\n0.263172 0.823163 0.837796 Si\n0.269198 0.304505 0.699517 Si\n0.144392 0.306244 0.213742 Si\n0.955150 0.285641 0.299094 As\n0.044850 0.714359 0.700906 As\n0.935671 0.873308 0.389723 As\n0.064329 0.126692 0.610277 As\n0.332866 0.445704 0.376806 H\n0.849258 0.527037 0.355803 H\n0.571578 0.756841 0.404311 H\n0.676772 0.374189 0.106058 H\n0.151811 0.526964 0.172343 H\n0.038702 0.710710 0.158489 H\n0.095064 0.598561 0.372581 H\n0.672246 0.715416 0.616370 H\n0.447048 0.180239 0.722871 H\n0.233595 0.455079 0.088323 H\n0.587476 0.628562 0.707097 H\n0.182673 0.695256 0.499935 H\n0.428422 0.243159 0.595689 H\n0.202511 0.369003 0.866014 H\n0.220433 0.033428 0.860545 H\n0.606691 0.590140 0.110635 H\n0.292791 0.250888 0.891618 H\n0.080568 0.876641 0.153585 H\n0.717136 0.318646 0.594903 H\n0.041791 0.414609 0.057346 H\n0.532541 0.343052 0.719889 H\n0.797489 0.630997 0.133986 H\n0.198843 0.952437 0.974843 H\n0.767605 0.565367 0.455637 H\n0.552952 0.819761 0.277129 H\n0.396587 0.960523 0.395975 H\n0.801157 0.047563 0.025157 H\n0.467459 0.656948 0.280111 H\n0.150742 0.472963 0.644197 H\n0.487803 0.081111 0.181337 H\n0.719089 0.941187 0.628622 H\n0.948693 0.866810 0.945270 H\n0.423098 0.757285 0.995984 H\n0.316315 0.996169 0.498239 H\n0.904936 0.401439 0.627419 H\n0.584975 0.212662 0.284007 H\n0.232395 0.434633 0.544363 H\n0.683685 0.003831 0.501761 H\n0.779567 0.966572 0.139455 H\n0.378129 0.934742 0.702172 H\n0.624320 0.974511 0.036286 H\n0.237825 0.680738 0.984294 H\n0.323228 0.625811 0.893942 H\n0.848189 0.473036 0.827657 H\n0.659007 0.468948 0.330686 H\n0.621871 0.065258 0.297828 H\n0.576902 0.242715 0.004016 H\n0.860316 0.919045 0.824315 H\n0.512197 0.918889 0.818663 H\n0.817327 0.304744 0.500065 H\n0.222018 0.803976 0.184558 H\n0.958209 0.585391 0.942654 H\n0.766405 0.544921 0.911677 H\n0.777982 0.196024 0.815442 H\n0.282864 0.681354 0.405097 H\n0.051307 0.133190 0.054730 H\n0.139684 0.080955 0.175685 H\n0.340993 0.531052 0.669314 H\n0.667134 0.554296 0.623194 H\n0.919432 0.123359 0.846415 H\n0.280911 0.058813 0.371378 H\n0.393309 0.409860 0.889365 H\n0.375680 0.025489 0.963714 H\n0.412524 0.371438 0.292903 H\n0.762175 0.319262 0.015706 H\n0.756323 0.818451 0.897606 H\n0.603413 0.039477 0.604025 H\n0.961298 0.289290 0.841511 H\n0.415025 0.787338 0.715993 H\n0.327754 0.284584 0.383630 H\n0.707209 0.749112 0.108382 H\n0.243677 0.181549 0.102394 H\n0.856083 0.838221 0.871433 C\n0.116542 0.802680 0.196979 C\n0.320187 0.356743 0.327768 C\n0.594833 0.130089 0.238518 C\n0.297434 0.975027 0.409598 C\n0.405167 0.869911 0.761482 C\n0.142477 0.438101 0.124751 C\n0.702566 0.024973 0.590402 C\n0.143917 0.161779 0.128567 C\n0.754110 0.551596 0.367203 C\n0.177644 0.687950 0.412631 C\n0.290370 0.335649 0.850599 C\n0.264012 0.972252 0.916844 C\n0.679813 0.643257 0.672232 C\n0.434334 0.263586 0.682257 C\n0.709630 0.664351 0.149401 C\n0.316361 0.711275 0.937226 C\n0.857523 0.561899 0.875249 C\n0.565666 0.736414 0.317743 C\n0.245890 0.448404 0.632797 C\n0.822356 0.312050 0.587369 C\n0.683639 0.288725 0.062774 C\n0.735988 0.027748 0.083156 C\n0.883458 0.197320 0.803021 C\n",
            "nsites": 110,
            "nelements": 5,
            "elements": [
                "Zn",
                "Si",
                "As",
                "H",
                "C"
            ],
            "chemical_system": "As-C-H-Si-Zn",
            "density": 1.2978480412259492,
            "density_atomic": 0.08461873144528193,
            "volume": 1299.9485825562238,
            "volume_molar": 7.116793949923691,
            "formula_full": "Zn2 Si8 As4 H72 C24",
            "formula_reduced": "ZnSi4As2(H3C)12",
            "formula_anonymous": "AB2C4D12E36",
            "energy": -552.38930546,
            "energy_per_atom": -5.021720958727272,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -552.38930546,
            "band_gap": 2.7613,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 2.7e-06,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:26.725000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1096243",
            "created_at": "2022-09-04T14:45:33.413098Z",
            "structure_string": "Na1 Mg1 Hg2\n1.0\n-6.031872 6.173917 8.727031\n6.031872 -6.173917 8.727031\n6.031872 6.173917 -8.727031\nNa Mg Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Mg\n0.000000 0.250697 0.250697 Hg\n0.000000 0.749303 0.749303 Hg\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Na",
                "Mg",
                "Hg"
            ],
            "chemical_system": "Hg-Mg-Na",
            "density": 0.5728589451302678,
            "density_atomic": 0.0030769509820410103,
            "volume": 1299.9882101945968,
            "volume_molar": 195.7177997033082,
            "formula_full": "Na1 Mg1 Hg2",
            "formula_reduced": "NaMgHg2",
            "formula_anonymous": "ABC2",
            "energy": -1.55393485,
            "energy_per_atom": -0.3884837125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1.55393485,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0007895,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:03.394000Z",
            "spacegroup": 71
        },
        {
            "id": "mp-1195508",
            "created_at": "2022-09-04T14:41:25.513375Z",
            "structure_string": "Ba18 Ta6 N18 Cl12\n1.0\n7.619878 -13.198016 0.000000\n7.619878 13.198016 0.000000\n0.000000 0.000000 6.463323\nBa Ta N Cl\n18 6 18 12\ndirect\n0.799917 0.799917 0.501772 Ba\n0.000000 0.200083 0.501772 Ba\n0.200083 0.000000 0.501772 Ba\n0.200083 0.200083 0.001772 Ba\n0.000000 0.799917 0.001772 Ba\n0.799917 0.000000 0.001772 Ba\n0.159037 0.689964 0.436784 Ba\n0.530927 0.840963 0.436784 Ba\n0.310036 0.469073 0.436784 Ba\n0.689964 0.159037 0.436784 Ba\n0.840963 0.530927 0.436784 Ba\n0.469073 0.310036 0.436784 Ba\n0.840963 0.310036 0.936784 Ba\n0.469073 0.159037 0.936784 Ba\n0.689964 0.530927 0.936784 Ba\n0.310036 0.840963 0.936784 Ba\n0.159037 0.469073 0.936784 Ba\n0.530927 0.689964 0.936784 Ba\n0.576605 0.576605 0.471247 Ta\n0.000000 0.423395 0.471247 Ta\n0.423395 0.000000 0.471247 Ta\n0.423395 0.423395 0.971247 Ta\n0.000000 0.576605 0.971247 Ta\n0.576605 0.000000 0.971247 Ta\n0.512193 0.512193 0.197320 N\n0.000000 0.487807 0.197320 N\n0.487807 0.000000 0.197320 N\n0.487807 0.487807 0.697320 N\n0.000000 0.512193 0.697320 N\n0.512193 0.000000 0.697320 N\n0.114350 0.710270 0.011127 N\n0.595920 0.885650 0.011127 N\n0.289730 0.404080 0.011127 N\n0.710270 0.114350 0.011127 N\n0.885650 0.595920 0.011127 N\n0.404080 0.289730 0.011127 N\n0.885650 0.289730 0.511127 N\n0.404080 0.114350 0.511127 N\n0.710270 0.595920 0.511127 N\n0.289730 0.885650 0.511127 N\n0.114350 0.404080 0.511127 N\n0.595920 0.710270 0.511127 N\n0.000000 0.000000 0.249893 Cl\n0.000000 0.000000 0.749893 Cl\n0.333333 0.666667 0.200473 Cl\n0.666667 0.333333 0.200473 Cl\n0.666667 0.333333 0.700473 Cl\n0.333333 0.666667 0.700473 Cl\n0.771067 0.771067 0.997465 Cl\n0.000000 0.228933 0.997465 Cl\n0.228933 0.000000 0.997465 Cl\n0.228933 0.228933 0.497465 Cl\n0.000000 0.771067 0.497465 Cl\n0.771067 0.000000 0.497465 Cl\n",
            "nsites": 54,
            "nelements": 4,
            "elements": [
                "Ba",
                "Ta",
                "N",
                "Cl"
            ],
            "chemical_system": "Ba-Cl-N-Ta",
            "density": 5.409701559340156,
            "density_atomic": 0.04153854074115415,
            "volume": 1299.9975212537909,
            "volume_molar": 14.497718630817445,
            "formula_full": "Ba18 Ta6 N18 Cl12",
            "formula_reduced": "Ba3TaN3Cl2",
            "formula_anonymous": "AB2C3D3",
            "energy": -376.60386,
            "energy_per_atom": -6.974145555555555,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -362.73786,
            "band_gap": 1.9944,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0003032,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:20.035000Z",
            "spacegroup": 185
        },
        {
            "id": "mp-1201785",
            "created_at": "2022-09-04T14:41:34.562145Z",
            "structure_string": "Sm4 B36 H24 O72\n1.0\n7.813840 0.000000 0.000000\n0.000000 16.806202 0.000000\n-7.800190 0.000000 9.900153\nSm B H O\n4 36 24 72\ndirect\n0.880213 0.289401 0.638168 Sm\n0.880213 0.210599 0.138168 Sm\n0.119787 0.710599 0.361832 Sm\n0.119787 0.789401 0.861832 Sm\n0.168832 0.397788 0.542588 B\n0.168832 0.102212 0.042588 B\n0.831168 0.602212 0.457412 B\n0.831168 0.897788 0.957412 B\n0.474446 0.293900 0.638984 B\n0.474446 0.206100 0.138984 B\n0.525554 0.706100 0.361016 B\n0.525554 0.793900 0.861016 B\n0.939469 0.462520 0.607961 B\n0.939469 0.037480 0.107961 B\n0.060531 0.537480 0.392039 B\n0.060531 0.962520 0.892039 B\n0.157535 0.182713 0.517397 B\n0.157535 0.317287 0.017397 B\n0.842465 0.817287 0.482603 B\n0.842465 0.682713 0.982603 B\n0.413397 0.194629 0.775432 B\n0.413397 0.305371 0.275432 B\n0.586603 0.805371 0.224568 B\n0.586603 0.694629 0.724568 B\n0.249167 0.066748 0.663446 B\n0.249167 0.433252 0.163446 B\n0.750833 0.933252 0.336554 B\n0.750833 0.566748 0.836554 B\n0.774842 0.237841 0.376603 B\n0.774842 0.262159 0.876603 B\n0.225158 0.762159 0.623397 B\n0.225158 0.737841 0.123397 B\n0.302659 0.252969 0.908223 B\n0.302659 0.247031 0.408223 B\n0.697341 0.747031 0.091777 B\n0.697341 0.752969 0.591777 B\n0.067835 0.597010 0.710313 B\n0.067835 0.902990 0.210313 B\n0.932165 0.402990 0.289687 B\n0.932165 0.097010 0.789687 B\n0.100589 0.959494 0.599096 H\n0.100589 0.540506 0.099096 H\n0.899411 0.040506 0.400904 H\n0.899411 0.459494 0.900904 H\n0.768227 0.451385 0.686808 H\n0.768227 0.048615 0.186808 H\n0.231773 0.548615 0.313192 H\n0.231773 0.951385 0.813192 H\n0.349897 0.508345 0.590515 H\n0.349897 0.991655 0.090515 H\n0.650103 0.491655 0.409485 H\n0.650103 0.008345 0.909485 H\n0.729957 0.112911 0.584317 H\n0.729957 0.387089 0.084317 H\n0.270043 0.887089 0.415683 H\n0.270043 0.612911 0.915683 H\n0.390462 0.442636 0.888874 H\n0.390462 0.057364 0.388874 H\n0.609538 0.557364 0.111126 H\n0.609538 0.942636 0.611126 H\n0.496955 0.401538 0.832853 H\n0.496955 0.098462 0.332853 H\n0.503045 0.598462 0.167147 H\n0.503045 0.901538 0.667147 H\n0.092987 0.516090 0.718088 O\n0.092987 0.983910 0.218088 O\n0.907013 0.483910 0.281912 O\n0.907013 0.016090 0.781912 O\n0.216360 0.988878 0.681409 O\n0.216360 0.511122 0.181409 O\n0.783640 0.011122 0.318591 O\n0.783640 0.488878 0.818591 O\n0.381069 0.364900 0.641470 O\n0.381069 0.135100 0.141470 O\n0.618931 0.635100 0.358530 O\n0.618931 0.864900 0.858530 O\n0.710162 0.291107 0.755979 O\n0.710162 0.208893 0.255979 O\n0.289838 0.708893 0.244021 O\n0.289838 0.791107 0.744021 O\n0.637311 0.281406 0.387935 O\n0.637311 0.218594 0.887935 O\n0.362689 0.718594 0.612065 O\n0.362689 0.781406 0.112065 O\n0.792183 0.423404 0.627462 O\n0.792183 0.076596 0.127462 O\n0.207817 0.576596 0.372538 O\n0.207817 0.923404 0.872538 O\n0.476995 0.281206 0.524474 O\n0.476995 0.218794 0.024474 O\n0.523005 0.718794 0.475526 O\n0.523005 0.781206 0.975526 O\n0.203077 0.487449 0.524197 O\n0.203077 0.012551 0.024197 O\n0.796923 0.512551 0.475803 O\n0.796923 0.987449 0.975803 O\n0.155401 0.302680 0.901541 O\n0.155401 0.197320 0.401541 O\n0.844599 0.697320 0.098459 O\n0.844599 0.802680 0.598459 O\n0.259500 0.240154 0.785983 O\n0.259500 0.259846 0.285983 O\n0.740500 0.759846 0.214017 O\n0.740500 0.740154 0.714017 O\n0.390280 0.109881 0.778961 O\n0.390280 0.390119 0.278961 O\n0.609720 0.890119 0.221039 O\n0.609720 0.609881 0.721039 O\n0.971101 0.222599 0.499140 O\n0.971101 0.277401 0.999140 O\n0.028899 0.777401 0.500860 O\n0.028899 0.722599 0.000860 O\n0.051062 0.361691 0.408065 O\n0.051062 0.138309 0.908065 O\n0.948938 0.638309 0.591935 O\n0.948938 0.861691 0.091935 O\n0.144847 0.097861 0.535883 O\n0.144847 0.402139 0.035883 O\n0.855153 0.902139 0.464117 O\n0.855153 0.597861 0.964117 O\n0.364142 0.217780 0.643758 O\n0.364142 0.282220 0.143758 O\n0.635858 0.782220 0.356242 O\n0.635858 0.717780 0.856242 O\n0.038002 0.395441 0.590838 O\n0.038002 0.104559 0.090838 O\n0.961998 0.604559 0.409162 O\n0.961998 0.895441 0.909162 O\n0.832404 0.142369 0.671022 O\n0.832404 0.357631 0.171022 O\n0.167596 0.857631 0.328978 O\n0.167596 0.642369 0.828978 O\n0.521614 0.413872 0.918110 O\n0.521614 0.086128 0.418110 O\n0.478386 0.586128 0.081890 O\n0.478386 0.913872 0.581890 O\n",
            "nsites": 136,
            "nelements": 4,
            "elements": [
                "Sm",
                "B",
                "H",
                "O"
            ],
            "chemical_system": "B-H-O-Sm",
            "density": 2.7675061170733812,
            "density_atomic": 0.10460752061449093,
            "volume": 1300.0977291221677,
            "volume_molar": 5.756890828330916,
            "formula_full": "Sm4 B36 H24 O72",
            "formula_reduced": "SmB9(HO3)6",
            "formula_anonymous": "AB6C9D18",
            "energy": -1041.42551489,
            "energy_per_atom": -7.657540550661764,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -991.96151489,
            "band_gap": 5.2966,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.4487113,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:29.843000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-778072",
            "created_at": "2022-09-04T14:44:09.907659Z",
            "structure_string": "Ba4 Y10 F38\n1.0\n6.317723 0.000000 0.000000\n0.000000 7.889153 0.000000\n0.000000 2.668279 26.084975\nBa Y F\n4 10 38\ndirect\n0.235564 0.763683 0.738087 Ba\n0.267419 0.766088 0.170715 Ba\n0.767419 0.233912 0.829285 Ba\n0.735564 0.236317 0.261913 Ba\n0.758955 0.841078 0.969631 Y\n0.746161 0.829670 0.535706 Y\n0.241186 0.861433 0.332530 Y\n0.264167 0.557998 0.900546 Y\n0.246391 0.469247 0.596681 Y\n0.746391 0.530753 0.403319 Y\n0.764167 0.442002 0.099454 Y\n0.741186 0.138567 0.667470 Y\n0.246161 0.170330 0.464294 Y\n0.258955 0.158922 0.030369 Y\n0.025177 0.988644 0.997921 F\n0.478187 0.990357 0.703235 F\n0.753452 0.966943 0.604882 F\n0.933035 0.959209 0.718595 F\n0.002533 0.995088 0.500598 F\n0.480654 0.708421 0.943004 F\n0.258693 0.013202 0.104894 F\n0.989393 0.676006 0.935086 F\n0.271685 0.748393 0.833798 F\n0.487048 0.660191 0.567044 F\n0.235685 0.709305 0.267069 F\n0.511319 0.717291 0.368543 F\n0.249931 0.565201 0.671210 F\n0.743934 0.677556 0.470236 F\n0.991649 0.649560 0.569130 F\n0.013892 0.693931 0.375603 F\n0.578016 0.594210 0.149724 F\n0.251698 0.346736 0.962552 F\n0.536291 0.433540 0.869158 F\n0.036291 0.566460 0.130842 F\n0.751698 0.653264 0.037448 F\n0.078016 0.405790 0.850276 F\n0.513892 0.306069 0.624397 F\n0.491649 0.350440 0.430870 F\n0.243934 0.322444 0.529764 F\n0.749931 0.434799 0.328790 F\n0.011319 0.282709 0.631457 F\n0.735685 0.290695 0.732931 F\n0.987048 0.339809 0.432956 F\n0.771685 0.251607 0.166202 F\n0.489393 0.323994 0.064914 F\n0.758693 0.986798 0.895106 F\n0.980654 0.291579 0.056996 F\n0.502533 0.004912 0.499402 F\n0.433035 0.040791 0.281405 F\n0.253452 0.033057 0.395118 F\n0.978187 0.009643 0.296765 F\n0.525177 0.011356 0.002079 F\n",
            "nsites": 52,
            "nelements": 3,
            "elements": [
                "Ba",
                "Y",
                "F"
            ],
            "chemical_system": "Ba-F-Y",
            "density": 2.759198526975175,
            "density_atomic": 0.039996497310670974,
            "volume": 1300.1138473724927,
            "volume_molar": 15.056670370965978,
            "formula_full": "Ba4 Y10 F38",
            "formula_reduced": "Ba2Y5F19",
            "formula_anonymous": "A2B5C19",
            "energy": -368.16662165,
            "energy_per_atom": -7.080127339423077,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -350.61062165,
            "band_gap": 6.1194,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0087779,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:33.015000Z",
            "spacegroup": 4
        },
        {
            "id": "mp-1019604",
            "created_at": "2022-09-04T14:41:13.479267Z",
            "structure_string": "Cs8 B8 S12 O52\n1.0\n6.842821 0.000000 0.000000\n0.000000 12.716909 0.000000\n0.000000 3.848145 14.940906\nCs B S O\n8 8 12 52\ndirect\n0.672265 0.265691 0.881597 Cs\n0.172265 0.234309 0.118403 Cs\n0.327735 0.734309 0.118403 Cs\n0.827735 0.765691 0.881597 Cs\n0.224945 0.133501 0.488135 Cs\n0.724945 0.366499 0.511865 Cs\n0.775055 0.866499 0.511865 Cs\n0.275055 0.633501 0.488135 Cs\n0.636874 0.979105 0.249092 B\n0.136874 0.520895 0.750908 B\n0.363126 0.020895 0.750908 B\n0.863126 0.479105 0.249092 B\n0.552022 0.374033 0.244108 B\n0.052022 0.125967 0.755892 B\n0.447978 0.625967 0.755892 B\n0.947978 0.874033 0.244108 B\n0.688637 0.164447 0.306908 S\n0.188637 0.335553 0.693092 S\n0.311363 0.835553 0.693092 S\n0.811363 0.664447 0.306908 S\n0.743453 0.457997 0.090278 S\n0.243453 0.042003 0.909722 S\n0.256547 0.542003 0.909722 S\n0.756547 0.957997 0.090278 S\n0.258176 0.950940 0.320669 S\n0.758176 0.549060 0.679331 S\n0.741824 0.049060 0.679331 S\n0.241824 0.450940 0.320669 S\n0.879138 0.210930 0.283450 O\n0.379138 0.289070 0.716550 O\n0.120862 0.789070 0.716550 O\n0.620862 0.710930 0.283450 O\n0.662348 0.098319 0.397663 O\n0.162348 0.401681 0.602337 O\n0.337652 0.901681 0.602337 O\n0.837652 0.598319 0.397663 O\n0.822112 0.404113 0.026217 O\n0.322112 0.095887 0.973783 O\n0.177888 0.595887 0.973783 O\n0.677888 0.904113 0.026217 O\n0.657033 0.564006 0.057086 O\n0.157033 0.935994 0.942914 O\n0.342967 0.435994 0.942914 O\n0.842967 0.064006 0.057086 O\n0.195628 0.884360 0.406932 O\n0.695628 0.615640 0.593068 O\n0.804372 0.115640 0.593068 O\n0.304372 0.384360 0.406932 O\n0.230478 0.066631 0.306642 O\n0.730478 0.433369 0.693358 O\n0.769522 0.933369 0.693358 O\n0.269522 0.566631 0.306642 O\n0.816429 0.932731 0.283721 O\n0.316429 0.567269 0.716279 O\n0.183571 0.067269 0.716279 O\n0.683571 0.432731 0.283721 O\n0.624798 0.100327 0.238087 O\n0.124798 0.399673 0.761913 O\n0.375202 0.899673 0.761913 O\n0.875202 0.600327 0.238087 O\n0.475338 0.923004 0.311211 O\n0.975338 0.576996 0.688789 O\n0.524662 0.076996 0.688789 O\n0.024662 0.423004 0.311211 O\n0.159201 0.912651 0.243375 O\n0.659201 0.587349 0.756625 O\n0.840799 0.087349 0.756625 O\n0.340799 0.412651 0.243375 O\n0.530264 0.254624 0.292198 O\n0.030264 0.245376 0.707802 O\n0.469736 0.745376 0.707802 O\n0.969736 0.754624 0.292198 O\n0.592226 0.377870 0.148000 O\n0.092226 0.122130 0.852000 O\n0.407774 0.622130 0.852000 O\n0.907774 0.877870 0.148000 O\n0.910316 0.463322 0.158147 O\n0.410316 0.036678 0.841853 O\n0.089684 0.536678 0.841853 O\n0.589684 0.963322 0.158147 O\n",
            "nsites": 80,
            "nelements": 4,
            "elements": [
                "Cs",
                "B",
                "S",
                "O"
            ],
            "chemical_system": "B-Cs-O-S",
            "density": 3.022444505410663,
            "density_atomic": 0.061531331137167716,
            "volume": 1300.1506471826735,
            "volume_molar": 9.787112758173947,
            "formula_full": "Cs8 B8 S12 O52",
            "formula_reduced": "Cs2B2S3O13",
            "formula_anonymous": "A2B2C3D13",
            "energy": -545.35865476,
            "energy_per_atom": -6.816983184500001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -509.63465476,
            "band_gap": 5.6635,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0014219,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:15.990000Z",
            "spacegroup": 14
        }
    ]
}