GET /third-parties/MatprojStructure/?format=api&ordering=energy&page=155
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=energy&page=156",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy&page=154",
    "results": [
        {
            "id": "mp-744126",
            "created_at": "2022-09-04T14:45:15.738374Z",
            "structure_string": "Ca6 La14 Ti10 Cr10 O60\n1.0\n5.563990 -0.014856 0.000000\n-0.014822 5.571565 0.000000\n0.000000 0.000000 39.250825\nCa La Ti Cr O\n6 14 10 10 60\ndirect\n0.037583 0.990331 0.250000 Ca\n0.530742 0.510374 0.049541 Ca\n0.530742 0.510374 0.450459 Ca\n0.961709 0.009816 0.549176 Ca\n0.963208 0.010459 0.750000 Ca\n0.961709 0.009816 0.950824 Ca\n0.031693 0.994435 0.048661 La\n0.031693 0.994435 0.451339 La\n0.026689 0.993565 0.649610 La\n0.026689 0.993565 0.850390 La\n0.475659 0.493171 0.350937 La\n0.475659 0.493171 0.149063 La\n0.476386 0.493217 0.548121 La\n0.477420 0.493302 0.750000 La\n0.476386 0.493217 0.951879 La\n0.524121 0.507968 0.250000 La\n0.525167 0.506576 0.649367 La\n0.525167 0.506576 0.850633 La\n0.972289 0.005484 0.150483 La\n0.972289 0.005484 0.349517 La\n0.999466 0.501441 0.098777 Ti\n0.999466 0.501441 0.401223 Ti\n0.001000 0.499276 0.799105 Ti\n0.000886 0.498442 0.901676 Ti\n0.999600 0.499246 0.999952 Ti\n0.999863 0.501662 0.201014 Ti\n0.999863 0.501662 0.298986 Ti\n0.999600 0.499246 0.500048 Ti\n0.001000 0.499276 0.700895 Ti\n0.000886 0.498442 0.598324 Ti\n0.500228 0.999886 0.099159 Cr\n0.500569 0.998778 0.499645 Cr\n0.499429 0.001258 0.299463 Cr\n0.500569 0.998778 0.000355 Cr\n0.500081 0.999794 0.700379 Cr\n0.500039 0.000001 0.901076 Cr\n0.499429 0.001258 0.200537 Cr\n0.500228 0.999886 0.400841 Cr\n0.500039 0.000001 0.598924 Cr\n0.500081 0.999794 0.799621 Cr\n0.010081 0.572660 0.149886 O\n0.010081 0.572660 0.350114 O\n0.012411 0.582013 0.549676 O\n0.010414 0.582255 0.750000 O\n0.012411 0.582013 0.950324 O\n0.220678 0.223804 0.108645 O\n0.225719 0.230341 0.191118 O\n0.225719 0.230341 0.308882 O\n0.220678 0.223804 0.391355 O\n0.216949 0.219435 0.508566 O\n0.222351 0.227358 0.591346 O\n0.221945 0.226267 0.708483 O\n0.221945 0.226267 0.791517 O\n0.222351 0.227358 0.908654 O\n0.216949 0.219435 0.991434 O\n0.277035 0.714489 0.009159 O\n0.273650 0.719204 0.091573 O\n0.273729 0.724473 0.208026 O\n0.273729 0.724473 0.291974 O\n0.273650 0.719204 0.408427 O\n0.272264 0.723792 0.608414 O\n0.273991 0.722681 0.808875 O\n0.277035 0.714489 0.490841 O\n0.272264 0.723792 0.891586 O\n0.273991 0.722681 0.691125 O\n0.478838 0.091389 0.050009 O\n0.484401 0.080932 0.649737 O\n0.475586 0.086700 0.250000 O\n0.478838 0.091389 0.449991 O\n0.484401 0.080932 0.850263 O\n0.514386 0.918739 0.349945 O\n0.514386 0.918739 0.150055 O\n0.524213 0.913552 0.549615 O\n0.524747 0.914315 0.750000 O\n0.524213 0.913552 0.950385 O\n0.730841 0.273233 0.108930 O\n0.724729 0.278721 0.308709 O\n0.724729 0.278721 0.191291 O\n0.730841 0.273233 0.391070 O\n0.728575 0.276111 0.508143 O\n0.726246 0.279465 0.591705 O\n0.726134 0.277428 0.707908 O\n0.726246 0.279465 0.908295 O\n0.726134 0.277428 0.792092 O\n0.728575 0.276111 0.991857 O\n0.778335 0.771844 0.008697 O\n0.778486 0.773926 0.092242 O\n0.778166 0.776045 0.208511 O\n0.778166 0.776045 0.291489 O\n0.778486 0.773926 0.407758 O\n0.778335 0.771844 0.491303 O\n0.775285 0.770917 0.608759 O\n0.774905 0.770279 0.690855 O\n0.774905 0.770279 0.809145 O\n0.775285 0.770917 0.891241 O\n0.989138 0.418229 0.250000 O\n0.981553 0.426015 0.050101 O\n0.991501 0.426687 0.649712 O\n0.981553 0.426015 0.449899 O\n0.991501 0.426687 0.850288 O\n",
            "nsites": 100,
            "nelements": 5,
            "elements": [
                "Ca",
                "La",
                "Ti",
                "Cr",
                "O"
            ],
            "chemical_system": "Ca-Cr-La-O-Ti",
            "density": 5.654996027471113,
            "density_atomic": 0.08218465815470144,
            "volume": 1216.772111064374,
            "volume_molar": 7.327572925672014,
            "formula_full": "Ca6 La14 Ti10 Cr10 O60",
            "formula_reduced": "Ca3La7Ti5Cr5O30",
            "formula_anonymous": "A3B5C5D7E30",
            "energy": -891.5197582300001,
            "energy_per_atom": -8.915197582300001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -830.3097582300002,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 28.4893188,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:56.071000Z",
            "spacegroup": 6
        },
        {
            "id": "mp-867030",
            "created_at": "2022-09-04T14:42:13.123196Z",
            "structure_string": "Ca32 Sn40 S112\n1.0\n-14.204139 0.000000 0.000000\n0.000000 0.000000 -15.970372\n0.000000 -21.887334 0.000000\nCa Sn S\n32 40 112\ndirect\n0.412317 0.717293 0.631690 Ca\n0.912317 0.282707 0.868310 Ca\n0.587683 0.782707 0.131690 Ca\n0.087683 0.217293 0.368310 Ca\n0.587683 0.282707 0.368310 Ca\n0.087683 0.717293 0.131690 Ca\n0.412317 0.217293 0.868310 Ca\n0.912317 0.782707 0.631690 Ca\n0.373469 0.799799 0.994487 Ca\n0.873469 0.200201 0.505513 Ca\n0.626531 0.700201 0.494487 Ca\n0.126531 0.299799 0.005513 Ca\n0.626531 0.200201 0.005513 Ca\n0.126531 0.799799 0.494487 Ca\n0.373469 0.299799 0.505513 Ca\n0.873469 0.700201 0.994487 Ca\n0.139113 0.704506 0.810326 Ca\n0.639113 0.295494 0.689674 Ca\n0.860887 0.795494 0.310326 Ca\n0.360887 0.204506 0.189674 Ca\n0.860887 0.295494 0.189674 Ca\n0.360887 0.704506 0.310326 Ca\n0.139113 0.204506 0.689674 Ca\n0.639113 0.795494 0.810326 Ca\n0.109136 0.876224 0.956923 Ca\n0.609136 0.123776 0.543077 Ca\n0.890864 0.623776 0.456923 Ca\n0.390864 0.376224 0.043077 Ca\n0.890864 0.123776 0.043077 Ca\n0.390864 0.876224 0.456923 Ca\n0.109136 0.376224 0.543077 Ca\n0.609136 0.623776 0.956923 Ca\n0.382887 0.593808 0.796294 Sn\n0.882887 0.406192 0.703706 Sn\n0.617113 0.906192 0.296294 Sn\n0.117113 0.093808 0.203706 Sn\n0.617113 0.406192 0.203706 Sn\n0.117113 0.593808 0.296294 Sn\n0.382887 0.093808 0.703706 Sn\n0.882887 0.906192 0.796294 Sn\n0.321848 0.925982 0.853615 Sn\n0.821848 0.074018 0.646385 Sn\n0.678152 0.574018 0.353615 Sn\n0.178152 0.425982 0.146385 Sn\n0.678152 0.074018 0.146385 Sn\n0.178152 0.925982 0.353615 Sn\n0.321848 0.425982 0.646385 Sn\n0.821848 0.574018 0.853615 Sn\n0.170122 0.928833 0.656619 Sn\n0.670122 0.071167 0.843381 Sn\n0.829878 0.571167 0.156619 Sn\n0.329878 0.428833 0.343381 Sn\n0.829878 0.071167 0.343381 Sn\n0.329878 0.928833 0.156619 Sn\n0.170122 0.428833 0.843381 Sn\n0.670122 0.571167 0.656619 Sn\n0.120430 0.564585 0.980673 Sn\n0.620430 0.435415 0.519327 Sn\n0.879570 0.935415 0.480673 Sn\n0.379570 0.064585 0.019327 Sn\n0.879570 0.435415 0.019327 Sn\n0.379570 0.564585 0.480673 Sn\n0.120430 0.064585 0.519327 Sn\n0.620430 0.935415 0.980673 Sn\n0.106562 0.610020 0.645909 Sn\n0.606562 0.389980 0.854091 Sn\n0.893438 0.889980 0.145909 Sn\n0.393438 0.110020 0.354091 Sn\n0.893438 0.389980 0.354091 Sn\n0.393438 0.610020 0.145909 Sn\n0.106562 0.110020 0.854091 Sn\n0.606562 0.889980 0.645909 Sn\n0.532402 0.570923 0.567613 S\n0.032402 0.429077 0.932387 S\n0.467598 0.929077 0.067613 S\n0.967598 0.070923 0.432387 S\n0.467598 0.429077 0.432387 S\n0.967598 0.570923 0.067613 S\n0.532402 0.070923 0.932387 S\n0.032402 0.929077 0.567613 S\n0.485886 0.744116 0.888955 S\n0.985886 0.255884 0.611045 S\n0.514114 0.755884 0.388955 S\n0.014114 0.244116 0.111045 S\n0.514114 0.255884 0.111045 S\n0.014114 0.744116 0.388955 S\n0.485886 0.244116 0.611045 S\n0.985886 0.755884 0.888955 S\n0.543372 0.533787 0.849813 S\n0.043372 0.466213 0.650187 S\n0.456628 0.966213 0.349813 S\n0.956628 0.033787 0.150187 S\n0.456628 0.466213 0.150187 S\n0.956628 0.533787 0.349813 S\n0.543372 0.033787 0.650187 S\n0.043372 0.966213 0.849813 S\n0.490555 0.817124 0.723989 S\n0.990555 0.182876 0.776011 S\n0.509445 0.682876 0.223989 S\n0.009445 0.317124 0.276012 S\n0.509445 0.182876 0.276012 S\n0.009445 0.817124 0.223989 S\n0.490555 0.317124 0.776011 S\n0.990555 0.682876 0.723989 S\n0.299482 0.744664 0.534199 S\n0.799482 0.255336 0.965801 S\n0.700518 0.755336 0.034199 S\n0.200518 0.244664 0.465801 S\n0.700518 0.255336 0.465801 S\n0.200518 0.744664 0.034199 S\n0.299482 0.244664 0.965801 S\n0.799482 0.755336 0.534199 S\n0.250417 0.798591 0.887369 S\n0.750417 0.201409 0.612631 S\n0.749583 0.701409 0.387369 S\n0.249584 0.298591 0.112631 S\n0.749583 0.201409 0.112631 S\n0.249584 0.798591 0.387369 S\n0.250417 0.298591 0.612631 S\n0.750417 0.701409 0.887369 S\n0.332228 0.945466 0.745985 S\n0.832228 0.054534 0.754015 S\n0.667772 0.554534 0.245985 S\n0.167772 0.445466 0.254015 S\n0.667772 0.054534 0.254015 S\n0.167772 0.945466 0.245985 S\n0.332228 0.445466 0.754015 S\n0.832228 0.554534 0.745985 S\n0.241357 0.570869 0.879836 S\n0.741357 0.429131 0.620164 S\n0.758643 0.929131 0.379836 S\n0.258643 0.070869 0.120164 S\n0.758643 0.429131 0.120164 S\n0.258643 0.570869 0.379836 S\n0.241357 0.070869 0.620164 S\n0.741357 0.929131 0.879836 S\n0.286756 0.869867 0.566801 S\n0.786756 0.130133 0.933199 S\n0.713244 0.630133 0.066801 S\n0.213244 0.369867 0.433199 S\n0.713244 0.130133 0.433199 S\n0.213244 0.869867 0.066801 S\n0.286756 0.369867 0.933199 S\n0.786756 0.630133 0.566801 S\n0.245647 0.663449 0.702550 S\n0.745647 0.336551 0.797450 S\n0.754353 0.836551 0.202550 S\n0.254353 0.163449 0.297450 S\n0.754353 0.336551 0.297450 S\n0.254353 0.663449 0.202550 S\n0.245647 0.163449 0.797450 S\n0.745647 0.836551 0.702550 S\n0.249624 0.519862 0.572795 S\n0.749624 0.480138 0.927205 S\n0.750376 0.980138 0.072795 S\n0.250376 0.019862 0.427205 S\n0.750376 0.480138 0.427205 S\n0.250376 0.519862 0.072795 S\n0.249624 0.019862 0.927205 S\n0.749624 0.980138 0.572795 S\n0.049800 0.805774 0.719884 S\n0.549800 0.194226 0.780116 S\n0.950200 0.694226 0.219884 S\n0.450200 0.305774 0.280116 S\n0.950200 0.194226 0.280116 S\n0.450200 0.805774 0.219884 S\n0.049800 0.305774 0.780116 S\n0.549800 0.694226 0.719884 S\n0.034459 0.677200 0.557186 S\n0.534459 0.322800 0.942814 S\n0.965541 0.822800 0.057186 S\n0.465541 0.177200 0.442814 S\n0.965541 0.322800 0.442814 S\n0.465541 0.677200 0.057186 S\n0.034459 0.177200 0.942814 S\n0.534459 0.822800 0.557186 S\n0.986880 0.624718 0.893361 S\n0.486880 0.375282 0.606639 S\n0.013120 0.875282 0.393361 S\n0.513120 0.124718 0.106639 S\n0.013120 0.375282 0.106639 S\n0.513120 0.624718 0.393361 S\n0.986880 0.124718 0.606639 S\n0.486880 0.875282 0.893361 S\n",
            "nsites": 184,
            "nelements": 3,
            "elements": [
                "Ca",
                "Sn",
                "S"
            ],
            "chemical_system": "Ca-S-Sn",
            "density": 3.2181003501308014,
            "density_atomic": 0.03705911226606335,
            "volume": 4965.040680925777,
            "volume_molar": 16.25009448894635,
            "formula_full": "Ca32 Sn40 S112",
            "formula_reduced": "Ca4Sn5S14",
            "formula_anonymous": "A4B5C14",
            "energy": -891.2949703300001,
            "energy_per_atom": -4.8439944039673914,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -834.95897033,
            "band_gap": 0.8258000000000001,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:37.867000Z",
            "spacegroup": 61
        },
        {
            "id": "mp-1244929",
            "created_at": "2022-09-04T14:48:31.665825Z",
            "structure_string": "W25 O75\n1.0\n12.515734 0.757597 0.986807\n0.710088 12.026133 0.382182\n0.893940 0.357650 11.473901\nW O\n25 75\ndirect\n0.019974 0.875935 0.743904 W\n0.273343 0.050773 0.491833 W\n0.188392 0.941325 0.218132 W\n0.101103 0.495767 0.082277 W\n0.651346 0.692148 0.468235 W\n0.043208 0.636524 0.550854 W\n0.554573 0.919831 0.999191 W\n0.139795 0.187652 0.036876 W\n0.407562 0.775721 0.841093 W\n0.496881 0.554479 0.302699 W\n0.567769 0.168676 0.768547 W\n0.823615 0.284974 0.725755 W\n0.227837 0.527806 0.773019 W\n0.462950 0.216839 0.093345 W\n0.905845 0.859400 0.379043 W\n0.786551 0.821726 0.952443 W\n0.341752 0.735800 0.549656 W\n0.895654 0.651383 0.115259 W\n0.399216 0.522990 0.009184 W\n0.709283 0.311884 0.205689 W\n0.180356 0.354719 0.448840 W\n0.081617 0.117243 0.735081 W\n0.459250 0.318787 0.535310 W\n0.960558 0.297294 0.314703 W\n0.692458 0.100689 0.448096 W\n0.019538 0.937892 0.334789 O\n0.044640 0.646381 0.134511 O\n0.043708 0.428788 0.222316 O\n0.583677 0.249163 0.446502 O\n0.481762 0.221791 0.901831 O\n0.687078 0.571345 0.549508 O\n0.515477 0.746698 0.539988 O\n0.856337 0.397513 0.794522 O\n0.319271 0.950283 0.140869 O\n0.708059 0.939708 0.035599 O\n0.989369 0.719985 0.415418 O\n0.995737 0.780485 0.625063 O\n0.591451 0.028702 0.825849 O\n0.397849 0.104391 0.462295 O\n0.230453 0.068620 0.659596 O\n0.351943 0.499398 0.868485 O\n0.537321 0.527046 0.961851 O\n0.622099 0.452460 0.226539 O\n0.234382 0.386878 0.748665 O\n0.242941 0.369532 0.305897 O\n0.460544 0.206337 0.665057 O\n0.822519 0.363894 0.285695 O\n0.607550 0.645012 0.328270 O\n0.331995 0.605511 0.657267 O\n0.499982 0.420717 0.612336 O\n0.524802 0.826400 0.117275 O\n0.940346 0.518392 0.042072 O\n0.867729 0.841607 0.242930 O\n0.121750 0.162851 0.881655 O\n0.038121 0.221763 0.184701 O\n0.178511 0.798387 0.216696 O\n0.513327 0.062159 0.060230 O\n0.821730 0.320754 0.575934 O\n0.768902 0.677831 0.023772 O\n0.192162 0.191286 0.458809 O\n0.454732 0.431475 0.389101 O\n0.332925 0.804591 0.715171 O\n0.136133 0.553035 0.914283 O\n0.866414 0.861140 0.808029 O\n0.334747 0.891889 0.509274 O\n0.529477 0.704474 0.784678 O\n0.758691 0.784505 0.461620 O\n0.601741 0.012853 0.421709 O\n0.427875 0.576399 0.175353 O\n0.307347 0.340337 0.529562 O\n0.665744 0.123257 0.611332 O\n0.828078 0.618889 0.256067 O\n0.912071 0.801153 0.025751 O\n0.120064 0.783291 0.797949 O\n0.351065 0.687874 0.968688 O\n0.437570 0.903970 0.908228 O\n0.385246 0.189614 0.227521 O\n0.026354 0.991219 0.848276 O\n0.118322 0.037434 0.100115 O\n0.084128 0.250536 0.659051 O\n0.651428 0.816874 0.894064 O\n0.920210 0.156345 0.750883 O\n0.138369 0.512231 0.474794 O\n0.680020 0.250371 0.794334 O\n0.813792 0.991286 0.447883 O\n0.930264 0.568274 0.597728 O\n0.029526 0.347324 0.432729 O\n0.589640 0.249867 0.142315 O\n0.120882 0.347329 0.013816 O\n0.735763 0.171195 0.289957 O\n0.216936 0.998357 0.362336 O\n0.239617 0.513318 0.100438 O\n0.206488 0.730056 0.522726 O\n0.412132 0.369442 0.066502 O\n0.117288 0.587836 0.685642 O\n0.280102 0.178455 0.041886 O\n0.790886 0.308999 0.070502 O\n0.919844 0.177744 0.394906 O\n0.401362 0.653642 0.407999 O\n0.061993 0.992653 0.628402 O\n",
            "nsites": 100,
            "nelements": 2,
            "elements": [
                "W",
                "O"
            ],
            "chemical_system": "O-W",
            "density": 5.631531559007257,
            "density_atomic": 0.0585130073550327,
            "volume": 1709.0217119287922,
            "volume_molar": 10.291969311131357,
            "formula_full": "W25 O75",
            "formula_reduced": "WO3",
            "formula_anonymous": "AB3",
            "energy": -890.9603090899999,
            "energy_per_atom": -8.9096030909,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -728.48530909,
            "band_gap": 1.7682,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:39:55.082000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-705037",
            "created_at": "2022-09-04T14:42:07.407819Z",
            "structure_string": "Na32 V8 P16 O72\n1.0\n7.089104 0.000000 0.000000\n0.000000 14.670307 0.000000\n0.000000 0.000000 16.208301\nNa V P O\n32 8 16 72\ndirect\n0.003362 0.138712 0.618419 Na\n0.269165 0.494327 0.995524 Na\n0.255896 0.245333 0.474540 Na\n0.769165 0.005673 0.995524 Na\n0.996638 0.861288 0.381581 Na\n0.503362 0.361288 0.618419 Na\n0.755896 0.254667 0.474540 Na\n0.230835 0.994327 0.004476 Na\n0.269165 0.994327 0.504476 Na\n0.314606 0.524260 0.224880 Na\n0.685394 0.475740 0.775120 Na\n0.744104 0.254667 0.974540 Na\n0.730835 0.505673 0.004476 Na\n0.185394 0.524260 0.724880 Na\n0.755896 0.754667 0.025460 Na\n0.996638 0.361288 0.118419 Na\n0.255896 0.745333 0.025460 Na\n0.185394 0.024260 0.775120 Na\n0.314606 0.024260 0.275120 Na\n0.230835 0.494327 0.495524 Na\n0.814606 0.475740 0.275120 Na\n0.496638 0.138712 0.118419 Na\n0.244104 0.745333 0.525460 Na\n0.496638 0.638712 0.381581 Na\n0.814606 0.975740 0.224880 Na\n0.744104 0.754667 0.525460 Na\n0.244104 0.245333 0.974540 Na\n0.769165 0.505673 0.504476 Na\n0.685394 0.975740 0.724880 Na\n0.730835 0.005673 0.495524 Na\n0.003362 0.638712 0.881581 Na\n0.503362 0.861288 0.881581 Na\n0.275550 0.758655 0.733913 V\n0.724450 0.241345 0.266087 V\n0.775550 0.741345 0.733913 V\n0.275550 0.258655 0.766087 V\n0.224450 0.258655 0.266087 V\n0.775550 0.241345 0.766087 V\n0.224450 0.758655 0.233913 V\n0.724450 0.741345 0.233913 V\n0.998948 0.638883 0.372728 P\n0.498948 0.861117 0.372728 P\n0.498239 0.608046 0.619352 P\n0.501052 0.638883 0.872728 P\n0.998948 0.138883 0.127272 P\n0.998239 0.891954 0.619352 P\n0.501761 0.391954 0.380648 P\n0.001761 0.108046 0.380648 P\n0.001052 0.861117 0.872728 P\n0.501052 0.138883 0.627272 P\n0.498948 0.361117 0.127272 P\n0.001052 0.361117 0.627272 P\n0.498239 0.108046 0.880648 P\n0.501761 0.891954 0.119352 P\n0.998239 0.391954 0.880648 P\n0.001761 0.608046 0.119352 P\n0.679749 0.663678 0.641930 O\n0.819160 0.836543 0.646859 O\n0.820251 0.163678 0.358070 O\n0.681023 0.342216 0.180324 O\n0.181023 0.657784 0.319676 O\n0.681015 0.150665 0.683308 O\n0.319160 0.663457 0.646859 O\n0.003925 0.201560 0.761252 O\n0.180840 0.663457 0.146859 O\n0.991231 0.207332 0.055218 O\n0.496075 0.201560 0.261252 O\n0.504089 0.986058 0.160204 O\n0.996075 0.798440 0.238748 O\n0.008282 0.102181 0.475933 O\n0.680840 0.336543 0.353141 O\n0.318977 0.157784 0.680324 O\n0.818977 0.842216 0.819676 O\n0.508282 0.897819 0.024067 O\n0.996075 0.298440 0.261252 O\n0.504089 0.486058 0.339796 O\n0.320251 0.836322 0.141930 O\n0.495911 0.013942 0.839796 O\n0.503925 0.798440 0.738748 O\n0.819160 0.336543 0.853141 O\n0.495911 0.513942 0.660204 O\n0.500292 0.539144 0.901592 O\n0.181015 0.349335 0.683308 O\n0.491718 0.102181 0.975933 O\n0.318985 0.349335 0.183308 O\n0.179749 0.836322 0.641930 O\n0.318977 0.657784 0.819676 O\n0.180840 0.163457 0.353141 O\n0.818985 0.650665 0.316692 O\n0.179749 0.336322 0.858070 O\n0.181015 0.849335 0.816692 O\n0.320251 0.336322 0.358070 O\n0.820251 0.663678 0.141930 O\n0.818985 0.150665 0.183308 O\n0.008769 0.292668 0.555218 O\n0.491231 0.792668 0.444782 O\n0.991718 0.397819 0.975933 O\n0.319160 0.163457 0.853141 O\n0.008282 0.602181 0.024067 O\n0.995911 0.986058 0.660204 O\n0.503925 0.298440 0.761252 O\n0.500292 0.039144 0.598408 O\n0.991231 0.707332 0.444782 O\n0.679749 0.163678 0.858070 O\n0.508282 0.397819 0.475933 O\n0.680840 0.836543 0.146859 O\n0.681023 0.842216 0.319676 O\n0.818977 0.342216 0.680324 O\n0.999708 0.539144 0.401592 O\n0.008769 0.792668 0.944782 O\n0.000292 0.960856 0.901592 O\n0.004089 0.513942 0.160204 O\n0.181023 0.157784 0.180324 O\n0.499708 0.960856 0.401592 O\n0.496075 0.701560 0.238748 O\n0.004089 0.013942 0.339796 O\n0.003925 0.701560 0.738748 O\n0.318985 0.849335 0.316692 O\n0.999708 0.039144 0.098408 O\n0.499708 0.460856 0.098408 O\n0.681015 0.650665 0.816692 O\n0.508769 0.707332 0.944782 O\n0.991718 0.897819 0.524067 O\n0.508769 0.207332 0.555218 O\n0.491718 0.602181 0.524067 O\n0.491231 0.292668 0.055218 O\n0.000292 0.460856 0.598408 O\n0.995911 0.486058 0.839796 O\n",
            "nsites": 128,
            "nelements": 4,
            "elements": [
                "Na",
                "V",
                "P",
                "O"
            ],
            "chemical_system": "Na-O-P-V",
            "density": 2.7491642129901908,
            "density_atomic": 0.07593498761727692,
            "volume": 1685.6524774210552,
            "volume_molar": 7.930653508962746,
            "formula_full": "Na32 V8 P16 O72",
            "formula_reduced": "Na4VP2O9",
            "formula_anonymous": "AB2C4D9",
            "energy": -890.79659636,
            "energy_per_atom": -6.9593484090625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -827.73259636,
            "band_gap": 1.7839,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 8.2532434,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:32.839000Z",
            "spacegroup": 61
        },
        {
            "id": "mp-706459",
            "created_at": "2022-09-04T14:47:05.772396Z",
            "structure_string": "Fe16 C56 O52\n1.0\n22.486348 0.000000 0.000000\n0.000000 9.535356 0.000000\n0.000000 7.884401 9.524149\nFe C O\n16 56 52\ndirect\n0.843755 0.311881 0.379249 Fe\n0.343755 0.688119 0.120751 Fe\n0.656245 0.311881 0.879249 Fe\n0.376877 0.401798 0.368900 Fe\n0.666359 0.668426 0.789756 Fe\n0.535105 0.412216 0.818071 Fe\n0.876877 0.598202 0.131100 Fe\n0.833641 0.668426 0.289756 Fe\n0.166359 0.331574 0.710244 Fe\n0.156245 0.688119 0.620751 Fe\n0.964895 0.412216 0.318071 Fe\n0.333641 0.331574 0.210244 Fe\n0.123123 0.401798 0.868900 Fe\n0.464895 0.587784 0.181929 Fe\n0.623123 0.598202 0.631100 Fe\n0.035105 0.587784 0.681929 Fe\n0.746711 0.716419 0.753885 C\n0.130572 0.894120 0.579853 C\n0.495557 0.747847 0.203056 C\n0.184949 0.253641 0.973742 C\n0.574350 0.789226 0.527291 C\n0.074350 0.210774 0.972709 C\n0.425650 0.210774 0.472709 C\n0.995557 0.252153 0.296944 C\n0.315181 0.623166 0.289853 C\n0.684949 0.746359 0.526258 C\n0.753289 0.716419 0.253885 C\n0.641492 0.221467 0.056377 C\n0.092069 0.483267 0.954032 C\n0.407931 0.483267 0.454032 C\n0.355279 0.132473 0.282077 C\n0.008295 0.690581 0.509083 C\n0.315051 0.253641 0.473742 C\n0.644721 0.867527 0.717923 C\n0.019765 0.545379 0.254466 C\n0.604703 0.522342 0.811690 C\n0.104703 0.477658 0.688310 C\n0.336798 0.391015 0.040967 C\n0.815181 0.376834 0.210147 C\n0.895297 0.522342 0.311691 C\n0.684819 0.376834 0.710147 C\n0.592069 0.516733 0.545968 C\n0.163202 0.391015 0.540967 C\n0.766751 0.305474 0.411472 C\n0.869428 0.105880 0.420147 C\n0.253289 0.283581 0.246115 C\n0.508295 0.309419 0.990917 C\n0.663202 0.608985 0.959033 C\n0.836798 0.608985 0.459033 C\n0.519765 0.454621 0.245534 C\n0.815051 0.746359 0.026258 C\n0.630572 0.105880 0.920147 C\n0.907931 0.516733 0.045968 C\n0.358508 0.778533 0.943623 C\n0.004443 0.747847 0.703056 C\n0.858508 0.221467 0.556377 C\n0.855279 0.867527 0.217923 C\n0.504443 0.252153 0.796944 C\n0.266751 0.694526 0.088528 C\n0.480235 0.545379 0.754466 C\n0.491705 0.690581 0.009083 C\n0.184819 0.623166 0.789853 C\n0.144721 0.132473 0.782077 C\n0.233249 0.694526 0.588528 C\n0.925650 0.789226 0.027291 C\n0.246711 0.283581 0.746115 C\n0.395297 0.477658 0.188310 C\n0.141492 0.778533 0.443623 C\n0.980235 0.454621 0.745534 C\n0.733249 0.305474 0.911472 C\n0.369428 0.894120 0.079853 C\n0.991705 0.309419 0.490917 C\n0.203173 0.249933 0.263319 O\n0.619287 0.965222 0.951181 O\n0.393395 0.764303 0.558444 O\n0.481726 0.151431 0.787976 O\n0.606605 0.235697 0.441556 O\n0.278883 0.150363 0.551586 O\n0.135055 0.844156 0.326997 O\n0.216284 0.650893 0.850154 O\n0.018274 0.151431 0.287976 O\n0.635055 0.155844 0.173003 O\n0.455006 0.085651 0.549844 O\n0.011204 0.248569 0.599273 O\n0.518274 0.848569 0.212024 O\n0.864945 0.155844 0.673003 O\n0.068464 0.877614 0.980228 O\n0.571010 0.470123 0.488253 O\n0.511204 0.751431 0.900727 O\n0.893395 0.235697 0.941556 O\n0.283716 0.650893 0.350154 O\n0.839487 0.574491 0.566892 O\n0.716284 0.349107 0.649846 O\n0.071010 0.529877 0.011747 O\n0.721117 0.849637 0.448414 O\n0.380713 0.034778 0.048819 O\n0.106605 0.764303 0.058444 O\n0.783716 0.349107 0.149846 O\n0.568464 0.122386 0.519772 O\n0.931536 0.122386 0.019772 O\n0.339487 0.425509 0.933108 O\n0.283742 0.717278 0.564517 O\n0.955006 0.914349 0.950156 O\n0.988796 0.751431 0.400727 O\n0.660513 0.574491 0.066892 O\n0.796827 0.750067 0.736681 O\n0.296827 0.249933 0.763319 O\n0.880713 0.965222 0.451181 O\n0.783742 0.282722 0.935483 O\n0.544994 0.914349 0.450156 O\n0.431536 0.877614 0.480228 O\n0.044994 0.085651 0.049844 O\n0.703173 0.750067 0.236681 O\n0.216258 0.717278 0.064517 O\n0.119287 0.034778 0.548819 O\n0.428990 0.529877 0.511747 O\n0.778883 0.849637 0.948414 O\n0.928990 0.470123 0.988253 O\n0.160513 0.425509 0.433108 O\n0.364945 0.844156 0.826997 O\n0.221117 0.150363 0.051586 O\n0.488796 0.248569 0.099273 O\n0.981726 0.848569 0.712024 O\n0.716258 0.282722 0.435483 O\n",
            "nsites": 124,
            "nelements": 3,
            "elements": [
                "Fe",
                "C",
                "O"
            ],
            "chemical_system": "C-Fe-O",
            "density": 1.9499891404315968,
            "density_atomic": 0.06072110476921083,
            "volume": 2042.1235824232779,
            "volume_molar": 9.917706179571324,
            "formula_full": "Fe16 C56 O52",
            "formula_reduced": "Fe4C14O13",
            "formula_anonymous": "A4B13C14",
            "energy": -890.7259715299999,
            "energy_per_atom": -7.1832739639516126,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -846.25797153,
            "band_gap": 0.9311,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0365957,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:58.553000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-558884",
            "created_at": "2022-09-04T14:39:05.334965Z",
            "structure_string": "Cr4 P12 H68 N12 O52\n1.0\n10.840724 0.000000 0.000000\n0.000000 9.598699 0.000000\n0.000000 9.023309 13.072530\nCr P H N O\n4 12 68 12 52\ndirect\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n0.367714 0.357948 0.743333 P\n0.084764 0.851390 0.639714 P\n0.132286 0.357948 0.243333 P\n0.867714 0.642052 0.756667 P\n0.632286 0.642052 0.256667 P\n0.400524 0.607088 0.367811 P\n0.584764 0.148610 0.860286 P\n0.599476 0.392912 0.632189 P\n0.415236 0.851390 0.139714 P\n0.900524 0.392912 0.132189 P\n0.099476 0.607088 0.867811 P\n0.915236 0.148610 0.360286 P\n0.562861 0.986401 0.339966 H\n0.781002 0.319521 0.551170 H\n0.437139 0.013599 0.660034 H\n0.398790 0.371981 0.179721 H\n0.212106 0.614366 0.741502 H\n0.886771 0.298481 0.862851 H\n0.967736 0.447414 0.684316 H\n0.250509 0.986304 0.212370 H\n0.652139 0.101770 0.197327 H\n0.661768 0.788636 0.643773 H\n0.134665 0.273696 0.930449 H\n0.712106 0.385634 0.758498 H\n0.787894 0.385634 0.258498 H\n0.376567 0.736656 0.004267 H\n0.218998 0.680479 0.448830 H\n0.560328 0.132009 0.602832 H\n0.601825 0.643960 0.401763 H\n0.212649 0.371621 0.485924 H\n0.439672 0.867991 0.397168 H\n0.532264 0.447414 0.184316 H\n0.347861 0.898230 0.802673 H\n0.060328 0.867991 0.897168 H\n0.281002 0.680479 0.948830 H\n0.101825 0.356040 0.098237 H\n0.717033 0.155638 0.440565 H\n0.787351 0.628379 0.514076 H\n0.898175 0.643960 0.901763 H\n0.617985 0.791568 0.938699 H\n0.161768 0.211364 0.856227 H\n0.865335 0.726304 0.069551 H\n0.718998 0.319521 0.051170 H\n0.287894 0.614366 0.241502 H\n0.623433 0.263344 0.995733 H\n0.622068 0.903445 0.097587 H\n0.217033 0.844362 0.059435 H\n0.398175 0.356040 0.598237 H\n0.847861 0.101770 0.697327 H\n0.882015 0.791568 0.438699 H\n0.750509 0.013696 0.287630 H\n0.601210 0.628019 0.820279 H\n0.937139 0.986401 0.839966 H\n0.101210 0.371981 0.679721 H\n0.152139 0.898230 0.302673 H\n0.123433 0.736656 0.504267 H\n0.749491 0.013696 0.787630 H\n0.386771 0.701519 0.637149 H\n0.282967 0.844362 0.559435 H\n0.613229 0.298481 0.362851 H\n0.113229 0.701519 0.137149 H\n0.939672 0.132009 0.102832 H\n0.338232 0.211364 0.356227 H\n0.249491 0.986304 0.712370 H\n0.287351 0.371621 0.985924 H\n0.377932 0.096555 0.902413 H\n0.382015 0.208432 0.061301 H\n0.838232 0.788636 0.143773 H\n0.876567 0.263344 0.495733 H\n0.782967 0.155638 0.940565 H\n0.365335 0.273696 0.430449 H\n0.467736 0.552586 0.815684 H\n0.634665 0.726304 0.569551 H\n0.877932 0.903445 0.597587 H\n0.032264 0.552586 0.315684 H\n0.117985 0.208432 0.561301 H\n0.122068 0.096555 0.402413 H\n0.898790 0.628019 0.320279 H\n0.712649 0.628379 0.014076 H\n0.062861 0.013599 0.160034 H\n0.639794 0.323393 0.751867 N\n0.139794 0.676607 0.748133 N\n0.445906 0.380328 0.644097 N\n0.360206 0.676607 0.248133 N\n0.945906 0.619672 0.855903 N\n0.066145 0.192629 0.348889 N\n0.566145 0.807371 0.151111 N\n0.933855 0.807371 0.651111 N\n0.554094 0.619672 0.355903 N\n0.860206 0.323393 0.251867 N\n0.433855 0.192629 0.848889 N\n0.054094 0.380328 0.144097 N\n0.234578 0.314265 0.740422 O\n0.508837 0.037944 0.611341 O\n0.128378 0.681682 0.465767 O\n0.871622 0.318318 0.534233 O\n0.351002 0.426443 0.438197 O\n0.888082 0.482015 0.758793 O\n0.127201 0.336617 0.515674 O\n0.984485 0.598096 0.349666 O\n0.374145 0.820426 0.574531 O\n0.111918 0.517985 0.241207 O\n0.165502 0.994224 0.232136 O\n0.856637 0.282346 0.097655 O\n0.635914 0.829213 0.572780 O\n0.734578 0.685735 0.759578 O\n0.484485 0.401904 0.150334 O\n0.364086 0.170787 0.427220 O\n0.334498 0.994224 0.732136 O\n0.148998 0.426443 0.938197 O\n0.110619 0.007928 0.638012 O\n0.361501 0.853605 0.049708 O\n0.861501 0.146395 0.450292 O\n0.491163 0.962056 0.388659 O\n0.125855 0.820426 0.074531 O\n0.874145 0.179574 0.925469 O\n0.389381 0.007928 0.138012 O\n0.356637 0.717654 0.402345 O\n0.625855 0.179574 0.425469 O\n0.851002 0.573557 0.061803 O\n0.864086 0.829213 0.072780 O\n0.015515 0.401904 0.650334 O\n0.008837 0.962056 0.888659 O\n0.628378 0.318318 0.034233 O\n0.665502 0.005776 0.267864 O\n0.138499 0.853605 0.549708 O\n0.143363 0.717654 0.902345 O\n0.611918 0.482015 0.258793 O\n0.372799 0.336617 0.015674 O\n0.834498 0.005776 0.767864 O\n0.135914 0.170787 0.927220 O\n0.889381 0.992072 0.361988 O\n0.991163 0.037944 0.111341 O\n0.872799 0.663383 0.484326 O\n0.388082 0.517985 0.741207 O\n0.610619 0.992072 0.861988 O\n0.627201 0.663383 0.984326 O\n0.515515 0.598096 0.849666 O\n0.765422 0.685735 0.259578 O\n0.638499 0.146395 0.950292 O\n0.371622 0.681682 0.965767 O\n0.265422 0.314265 0.240422 O\n0.643363 0.282346 0.597655 O\n0.648998 0.573557 0.561803 O\n",
            "nsites": 148,
            "nelements": 5,
            "elements": [
                "Cr",
                "P",
                "H",
                "N",
                "O"
            ],
            "chemical_system": "Cr-H-N-O-P",
            "density": 2.012074962313375,
            "density_atomic": 0.10880062934968512,
            "volume": 1360.286249120197,
            "volume_molar": 5.535023828442062,
            "formula_full": "Cr4 P12 H68 N12 O52",
            "formula_reduced": "CrP3H17N3O13",
            "formula_anonymous": "AB3C3D13E17",
            "energy": -890.64434769,
            "energy_per_atom": -6.017867214121622,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -842.59234769,
            "band_gap": 2.7258,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0030376,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:42.503000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-530984",
            "created_at": "2022-09-04T14:45:06.208255Z",
            "structure_string": "Al44 Pb2 O68\n1.0\n11.306846 0.000000 0.000000\n0.000000 9.781944 0.000000\n0.000000 3.219286 11.448250\nAl Pb O\n44 2 68\ndirect\n0.000000 0.000000 0.000000 Al\n0.124440 0.343662 0.215588 Al\n0.000042 0.096491 0.216025 Al\n0.000676 0.350151 0.951056 Al\n0.001203 0.450136 0.649341 Al\n0.998797 0.549864 0.350659 Al\n0.376192 0.848031 0.205430 Al\n0.123808 0.848031 0.205430 Al\n0.250000 0.596782 0.209470 Al\n0.999324 0.649849 0.048944 Al\n0.250000 0.851312 0.947217 Al\n0.250000 0.499801 0.001269 Al\n0.999958 0.903509 0.783975 Al\n0.123450 0.654067 0.789222 Al\n0.250000 0.945551 0.647840 Al\n0.250000 0.050175 0.352152 Al\n0.375560 0.343662 0.215588 Al\n0.623450 0.345933 0.210778 Al\n0.499958 0.096491 0.216025 Al\n0.250000 0.151392 0.048403 Al\n0.499324 0.350151 0.951056 Al\n0.500000 0.000000 0.000000 Al\n0.250000 0.401266 0.788433 Al\n0.373140 0.153888 0.782962 Al\n0.126860 0.153888 0.782962 Al\n0.498797 0.450136 0.649341 Al\n0.501203 0.549864 0.350659 Al\n0.873140 0.846112 0.217038 Al\n0.626860 0.846112 0.217038 Al\n0.750000 0.598734 0.211567 Al\n0.500676 0.649849 0.048944 Al\n0.750000 0.848608 0.951597 Al\n0.750000 0.500199 0.998731 Al\n0.500042 0.903509 0.783975 Al\n0.376550 0.654067 0.789222 Al\n0.624440 0.656338 0.784412 Al\n0.750000 0.949825 0.647848 Al\n0.750000 0.054449 0.352160 Al\n0.876550 0.345933 0.210778 Al\n0.750000 0.148688 0.052783 Al\n0.750000 0.403218 0.790530 Al\n0.623808 0.151969 0.794570 Al\n0.876192 0.151969 0.794570 Al\n0.875560 0.656338 0.784412 Al\n0.250000 0.702469 0.469500 Pb\n0.750000 0.297531 0.530500 Pb\n0.997990 0.094210 0.718571 O\n0.132782 0.454921 0.902102 O\n0.997623 0.190407 0.901707 O\n0.250000 0.593584 0.717151 O\n0.125116 0.345051 0.713249 O\n0.000000 0.500000 0.500000 O\n0.129385 0.656860 0.294326 O\n0.999526 0.404853 0.286979 O\n0.250000 0.796514 0.109169 O\n0.002377 0.809593 0.098293 O\n0.132484 0.548073 0.099806 O\n0.382484 0.955886 0.900045 O\n0.117516 0.955886 0.900045 O\n0.250000 0.688781 0.901500 O\n0.998634 0.703605 0.889377 O\n0.502010 0.094210 0.718571 O\n0.250000 0.096133 0.706243 O\n0.124418 0.843390 0.712778 O\n0.375582 0.843390 0.712778 O\n0.250000 0.954563 0.498723 O\n0.374726 0.153546 0.290323 O\n0.125274 0.153546 0.290323 O\n0.250000 0.898144 0.289270 O\n0.498634 0.296395 0.110623 O\n0.250000 0.310487 0.099091 O\n0.380994 0.044824 0.098595 O\n0.119006 0.044824 0.098595 O\n0.632484 0.451927 0.900194 O\n0.367218 0.454921 0.902102 O\n0.502377 0.190407 0.901707 O\n0.250000 0.202552 0.888430 O\n0.750000 0.591971 0.718370 O\n0.499526 0.595147 0.713021 O\n0.629385 0.343140 0.705674 O\n0.374884 0.345051 0.713249 O\n0.500000 0.500000 0.500000 O\n0.370615 0.656860 0.294326 O\n0.625116 0.654949 0.286751 O\n0.500474 0.404853 0.286979 O\n0.250000 0.408029 0.281630 O\n0.750000 0.797448 0.111570 O\n0.497623 0.809593 0.098293 O\n0.367516 0.548073 0.099806 O\n0.632782 0.545079 0.097898 O\n0.880994 0.955176 0.901405 O\n0.619006 0.955176 0.901405 O\n0.750000 0.689513 0.900909 O\n0.501366 0.703605 0.889377 O\n0.750000 0.101856 0.710730 O\n0.625274 0.846454 0.709677 O\n0.874726 0.846454 0.709677 O\n0.750000 0.045437 0.501277 O\n0.624418 0.156610 0.287222 O\n0.875582 0.156610 0.287222 O\n0.750000 0.903867 0.293757 O\n0.497990 0.905790 0.281429 O\n0.001366 0.296395 0.110623 O\n0.750000 0.311219 0.098500 O\n0.617516 0.044114 0.099955 O\n0.882484 0.044114 0.099955 O\n0.867516 0.451927 0.900194 O\n0.750000 0.203486 0.890831 O\n0.000474 0.595147 0.713021 O\n0.870615 0.343140 0.705674 O\n0.874884 0.654949 0.286751 O\n0.750000 0.406416 0.282849 O\n0.867218 0.545079 0.097898 O\n0.002010 0.905790 0.281429 O\n",
            "nsites": 114,
            "nelements": 3,
            "elements": [
                "Al",
                "Pb",
                "O"
            ],
            "chemical_system": "Al-O-Pb",
            "density": 3.527138106958141,
            "density_atomic": 0.09003245596960506,
            "volume": 1266.2100436145647,
            "volume_molar": 6.6888553634847785,
            "formula_full": "Al44 Pb2 O68",
            "formula_reduced": "Al22PbO34",
            "formula_anonymous": "AB22C34",
            "energy": -890.50581822,
            "energy_per_atom": -7.811454545789474,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -843.78981822,
            "band_gap": 3.595,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0006319,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:49.234000Z",
            "spacegroup": 11
        },
        {
            "id": "mp-560575",
            "created_at": "2022-09-04T14:45:11.644046Z",
            "structure_string": "V12 B6 P18 O72\n1.0\n7.078404 -12.260155 0.000000\n7.078404 12.260155 0.000000\n0.000000 0.000000 7.627066\nV B P O\n12 6 18 72\ndirect\n0.975043 0.655384 0.554619 V\n0.319659 0.975043 0.054619 V\n0.975043 0.655384 0.945381 V\n0.024957 0.344616 0.054619 V\n0.680341 0.024957 0.554619 V\n0.680341 0.024957 0.945381 V\n0.344616 0.319659 0.945381 V\n0.024957 0.344616 0.445381 V\n0.655384 0.680341 0.445381 V\n0.655384 0.680341 0.054619 V\n0.344616 0.319659 0.554619 V\n0.319659 0.975043 0.445381 V\n0.333333 0.666667 0.250000 B\n0.666667 0.333333 0.250000 B\n0.333333 0.666667 0.750000 B\n0.666667 0.333333 0.750000 B\n0.000000 0.000000 0.250000 B\n0.000000 0.000000 0.750000 B\n0.410184 0.516500 0.250000 P\n0.221486 0.444681 0.750000 P\n0.223196 0.778514 0.750000 P\n0.555319 0.776804 0.750000 P\n0.853599 0.778792 0.750000 P\n0.074807 0.853599 0.250000 P\n0.925193 0.146401 0.750000 P\n0.146401 0.221208 0.250000 P\n0.893684 0.410184 0.750000 P\n0.483500 0.893684 0.250000 P\n0.106316 0.589816 0.250000 P\n0.444681 0.223196 0.250000 P\n0.516500 0.106316 0.750000 P\n0.776804 0.221486 0.250000 P\n0.778514 0.555319 0.250000 P\n0.589816 0.483500 0.750000 P\n0.221208 0.074807 0.750000 P\n0.778792 0.925193 0.250000 P\n0.326087 0.565989 0.750000 O\n0.565906 0.725186 0.918036 O\n0.760098 0.326087 0.250000 O\n0.570696 0.235837 0.750000 O\n0.434094 0.274814 0.418036 O\n0.632433 0.902365 0.750000 O\n0.451921 0.069042 0.919687 O\n0.695927 0.798949 0.250000 O\n0.966502 0.891358 0.750000 O\n0.269932 0.367567 0.750000 O\n0.069042 0.617121 0.080313 O\n0.206433 0.229424 0.418756 O\n0.235837 0.665140 0.250000 O\n0.924856 0.033498 0.750000 O\n0.764163 0.334860 0.750000 O\n0.451921 0.069042 0.580313 O\n0.467737 0.394179 0.750000 O\n0.033498 0.108642 0.250000 O\n0.770576 0.977010 0.081244 O\n0.725186 0.159280 0.081964 O\n0.022990 0.793567 0.418756 O\n0.382879 0.451921 0.419687 O\n0.069042 0.617121 0.419687 O\n0.108642 0.075144 0.750000 O\n0.097635 0.730068 0.750000 O\n0.429304 0.764163 0.250000 O\n0.793567 0.770576 0.581244 O\n0.548079 0.930958 0.080313 O\n0.434094 0.274814 0.081964 O\n0.075144 0.966502 0.250000 O\n0.902365 0.269932 0.250000 O\n0.840720 0.565906 0.081964 O\n0.201051 0.896978 0.250000 O\n0.673913 0.434011 0.250000 O\n0.605821 0.073558 0.750000 O\n0.926442 0.532263 0.750000 O\n0.565989 0.239902 0.250000 O\n0.730068 0.632433 0.250000 O\n0.274814 0.840720 0.581964 O\n0.159280 0.434094 0.581964 O\n0.229424 0.022990 0.918756 O\n0.617121 0.548079 0.919687 O\n0.930958 0.382879 0.919687 O\n0.382879 0.451921 0.080313 O\n0.229424 0.022990 0.581244 O\n0.022990 0.793567 0.081244 O\n0.977010 0.206433 0.581244 O\n0.548079 0.930958 0.419687 O\n0.103022 0.304073 0.250000 O\n0.798949 0.103022 0.750000 O\n0.896978 0.695927 0.750000 O\n0.565906 0.725186 0.581964 O\n0.073558 0.467737 0.250000 O\n0.977010 0.206433 0.918756 O\n0.770576 0.977010 0.418756 O\n0.304073 0.201051 0.750000 O\n0.725186 0.159280 0.418036 O\n0.334860 0.570696 0.250000 O\n0.532263 0.605821 0.250000 O\n0.930958 0.382879 0.580313 O\n0.617121 0.548079 0.580313 O\n0.159280 0.434094 0.918036 O\n0.274814 0.840720 0.918036 O\n0.394179 0.926442 0.250000 O\n0.239902 0.673913 0.750000 O\n0.891358 0.924856 0.250000 O\n0.206433 0.229424 0.081244 O\n0.367567 0.097635 0.250000 O\n0.840720 0.565906 0.418036 O\n0.434011 0.760098 0.750000 O\n0.665140 0.429304 0.750000 O\n0.793567 0.770576 0.918756 O\n",
            "nsites": 108,
            "nelements": 4,
            "elements": [
                "V",
                "B",
                "P",
                "O"
            ],
            "chemical_system": "B-O-P-V",
            "density": 2.9925178414497586,
            "density_atomic": 0.08158399126130772,
            "volume": 1323.789120025811,
            "volume_molar": 7.381522608659229,
            "formula_full": "V12 B6 P18 O72",
            "formula_reduced": "V2B(PO4)3",
            "formula_anonymous": "AB2C3D12",
            "energy": -890.4959021900002,
            "energy_per_atom": -8.245332427685186,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -820.63190219,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 4.5e-06,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:55.524000Z",
            "spacegroup": 176
        },
        {
            "id": "mp-1204949",
            "created_at": "2022-09-04T14:45:09.264380Z",
            "structure_string": "Ca24 Te20 N8 O84\n1.0\n5.666542 0.000000 0.000000\n0.000000 15.721216 0.000000\n0.000000 0.113214 24.386218\nCa Te N O\n24 20 8 84\ndirect\n0.762782 0.467649 0.045105 Ca\n0.262782 0.532351 0.454895 Ca\n0.237218 0.532351 0.954895 Ca\n0.737218 0.467649 0.545105 Ca\n0.235285 0.083158 0.533878 Ca\n0.735285 0.916842 0.966122 Ca\n0.764715 0.916842 0.466122 Ca\n0.264715 0.083158 0.033878 Ca\n0.762824 0.976460 0.127707 Ca\n0.262824 0.023540 0.372293 Ca\n0.237176 0.023540 0.872293 Ca\n0.737176 0.976460 0.627707 Ca\n0.789597 0.218947 0.095590 Ca\n0.289597 0.781053 0.404410 Ca\n0.210403 0.781053 0.904410 Ca\n0.710403 0.218947 0.595590 Ca\n0.337062 0.369601 0.150056 Ca\n0.837062 0.630399 0.349944 Ca\n0.662938 0.630399 0.849944 Ca\n0.162938 0.369601 0.650056 Ca\n0.825657 0.529413 0.203741 Ca\n0.325657 0.470587 0.296259 Ca\n0.174343 0.470587 0.796259 Ca\n0.674343 0.529413 0.703741 Ca\n0.294934 0.577672 0.111663 Te\n0.794934 0.422328 0.388337 Te\n0.705066 0.422328 0.888337 Te\n0.205066 0.577672 0.611663 Te\n0.311014 0.312260 0.000882 Te\n0.811014 0.687740 0.499118 Te\n0.688986 0.687740 0.999118 Te\n0.188986 0.312260 0.500882 Te\n0.268397 0.864366 0.056312 Te\n0.768397 0.135634 0.443688 Te\n0.731603 0.135634 0.943688 Te\n0.231603 0.864366 0.556312 Te\n0.242084 0.123749 0.172958 Te\n0.742084 0.876251 0.327042 Te\n0.757916 0.876251 0.827042 Te\n0.257916 0.123749 0.672958 Te\n0.353186 0.678674 0.262092 Te\n0.853186 0.321326 0.237908 Te\n0.646814 0.321326 0.737908 Te\n0.146814 0.678674 0.762092 Te\n0.273677 0.920444 0.216157 N\n0.773677 0.079556 0.283843 N\n0.726323 0.079556 0.783843 N\n0.226323 0.920444 0.716157 N\n0.804619 0.749922 0.158994 N\n0.304619 0.250078 0.341006 N\n0.195381 0.250078 0.841006 N\n0.695381 0.749922 0.658994 N\n0.412940 0.559160 0.040391 O\n0.912940 0.440840 0.459609 O\n0.587060 0.440840 0.959609 O\n0.087060 0.559160 0.540391 O\n0.046815 0.497131 0.117363 O\n0.546815 0.502869 0.382637 O\n0.953185 0.502869 0.882637 O\n0.453185 0.497131 0.617363 O\n0.522299 0.504076 0.143297 O\n0.022299 0.495924 0.356703 O\n0.477701 0.495924 0.856703 O\n0.977701 0.504076 0.643297 O\n0.094380 0.404359 0.000439 O\n0.594380 0.595641 0.499561 O\n0.905620 0.595641 0.999561 O\n0.405620 0.404359 0.500439 O\n0.117025 0.229304 0.035465 O\n0.617025 0.770696 0.464535 O\n0.882975 0.770696 0.964535 O\n0.382975 0.229304 0.535465 O\n0.504688 0.341489 0.062942 O\n0.004688 0.658511 0.437058 O\n0.495312 0.658511 0.937058 O\n0.995312 0.341489 0.562942 O\n0.370945 0.838293 0.984929 O\n0.870945 0.161707 0.515071 O\n0.629055 0.161707 0.015071 O\n0.129055 0.838293 0.484929 O\n0.005284 0.935632 0.044107 O\n0.505284 0.064368 0.455893 O\n0.994716 0.064368 0.955893 O\n0.494716 0.935632 0.544107 O\n0.488045 0.955157 0.060663 O\n0.988045 0.044843 0.439337 O\n0.511955 0.044843 0.939337 O\n0.011955 0.955157 0.560663 O\n0.159620 0.239835 0.168058 O\n0.659620 0.760165 0.331942 O\n0.840380 0.760165 0.831942 O\n0.340380 0.239835 0.668058 O\n0.503363 0.116747 0.124882 O\n0.003363 0.883253 0.375118 O\n0.496637 0.883253 0.875118 O\n0.996637 0.116747 0.624882 O\n0.020751 0.090782 0.117478 O\n0.520751 0.909218 0.382522 O\n0.979249 0.909218 0.882522 O\n0.479249 0.090782 0.617478 O\n0.214711 0.681452 0.332450 O\n0.714711 0.318548 0.167550 O\n0.785289 0.318548 0.667550 O\n0.285289 0.681452 0.832450 O\n0.157121 0.589125 0.236706 O\n0.657121 0.410875 0.263294 O\n0.842879 0.410875 0.763294 O\n0.342879 0.589125 0.736706 O\n0.597642 0.597424 0.274451 O\n0.097642 0.402576 0.225549 O\n0.402358 0.402576 0.725549 O\n0.902358 0.597424 0.774451 O\n0.097507 0.938896 0.186418 O\n0.597507 0.061104 0.313582 O\n0.902493 0.061104 0.813582 O\n0.402493 0.938896 0.686418 O\n0.246164 0.899037 0.265599 O\n0.746164 0.100963 0.234401 O\n0.753836 0.100963 0.734401 O\n0.253836 0.899037 0.765599 O\n0.480040 0.924349 0.195903 O\n0.980040 0.075651 0.304097 O\n0.519960 0.075651 0.804097 O\n0.019960 0.924349 0.695903 O\n0.759779 0.807627 0.123475 O\n0.259779 0.192373 0.376525 O\n0.240221 0.192373 0.876525 O\n0.740221 0.807627 0.623475 O\n0.903000 0.767343 0.203515 O\n0.403000 0.232657 0.296485 O\n0.097000 0.232657 0.796485 O\n0.597000 0.767343 0.703515 O\n0.746922 0.672715 0.147944 O\n0.246922 0.327285 0.352056 O\n0.253078 0.327285 0.852056 O\n0.753078 0.672715 0.647944 O\n",
            "nsites": 136,
            "nelements": 4,
            "elements": [
                "Ca",
                "Te",
                "N",
                "O"
            ],
            "chemical_system": "Ca-N-O-Te",
            "density": 3.7987952127321254,
            "density_atomic": 0.0626022885171325,
            "volume": 2172.4445419080903,
            "volume_molar": 9.619681488723705,
            "formula_full": "Ca24 Te20 N8 O84",
            "formula_reduced": "Ca6Te5N2O21",
            "formula_anonymous": "A2B5C6D21",
            "energy": -890.12391952,
            "energy_per_atom": -6.54502882,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -832.41591952,
            "band_gap": 2.715,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0635637,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:50.589000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-690382",
            "created_at": "2022-09-04T14:42:26.813141Z",
            "structure_string": "Na18 Mg6 Zr6 P18 O72\n1.0\n9.069827 0.000000 0.000000\n-4.520653 7.874029 0.000000\n-0.035455 -0.079427 22.205031\nNa Mg Zr P O\n18 6 6 18 72\ndirect\n0.665094 0.324885 0.672655 Na\n0.119500 0.222198 0.871137 Na\n0.339095 0.683207 0.832320 Na\n0.545256 0.085923 0.793950 Na\n0.343653 0.667644 0.339039 Na\n0.081688 0.542565 0.708393 Na\n0.038047 0.724972 0.917752 Na\n0.783850 0.568304 0.534838 Na\n0.006736 0.017791 0.498653 Na\n0.210994 0.416144 0.459925 Na\n0.749781 0.883793 0.372394 Na\n0.709380 0.038748 0.584118 Na\n0.904328 0.431651 0.296597 Na\n0.466079 0.915468 0.204292 Na\n0.686029 0.323425 0.165135 Na\n0.895874 0.778782 0.120636 Na\n0.401915 0.185910 0.036388 Na\n0.364780 0.355292 0.256525 Na\n0.129511 0.866830 0.781527 Mg\n0.868999 0.128701 0.715966 Mg\n0.867492 0.137617 0.214098 Mg\n0.795185 0.198106 0.448995 Mg\n0.531916 0.460851 0.383646 Mg\n0.197602 0.801271 0.048897 Mg\n0.805809 0.180214 0.954846 Zr\n0.533888 0.479362 0.880415 Zr\n0.470558 0.523028 0.621522 Zr\n0.199499 0.815338 0.548522 Zr\n0.141422 0.868945 0.287223 Zr\n0.463782 0.531285 0.116375 Zr\n0.802868 0.901946 0.844000 P\n0.289258 0.288000 0.750613 P\n0.233537 0.479018 0.982632 P\n0.433818 0.866599 0.683226 P\n0.371167 0.037316 0.915115 P\n0.473560 0.238409 0.513418 P\n0.870572 0.429930 0.819097 P\n0.955773 0.622619 0.416525 P\n0.902232 0.804206 0.651713 P\n0.093607 0.206555 0.348633 P\n0.033015 0.372186 0.582728 P\n0.126902 0.568889 0.181108 P\n0.534819 0.763642 0.484976 P\n0.621888 0.965885 0.085956 P\n0.571556 0.137492 0.317789 P\n0.766743 0.525621 0.015511 P\n0.701660 0.706495 0.250158 P\n0.196914 0.097339 0.152337 P\n0.714792 0.454038 0.834143 O\n0.671132 0.545075 0.960675 O\n0.839178 0.010756 0.902953 O\n0.386974 0.215001 0.902869 O\n0.772660 0.992095 0.791659 O\n0.633774 0.731030 0.855246 O\n0.418541 0.373204 0.697472 O\n0.366321 0.412695 0.806273 O\n0.336438 0.503651 0.923412 O\n0.459963 0.712795 0.668932 O\n0.603230 0.034901 0.687910 O\n0.556351 0.073729 0.925187 O\n0.118924 0.277966 0.737637 O\n0.379447 0.786673 0.500596 O\n0.067117 0.306647 0.974061 O\n0.205704 0.627467 0.992740 O\n0.326893 0.824112 0.740795 O\n0.337061 0.880241 0.627061 O\n0.299251 0.918165 0.859942 O\n0.511403 0.343424 0.574000 O\n0.051620 0.549280 0.568528 O\n0.259464 0.961202 0.970703 O\n0.446347 0.334628 0.462536 O\n0.302400 0.067785 0.523149 O\n0.035415 0.602704 0.812370 O\n0.891777 0.335284 0.873432 O\n0.078444 0.700314 0.361021 O\n0.280431 0.120093 0.765279 O\n0.824502 0.325117 0.760068 O\n0.036547 0.747690 0.471287 O\n0.997661 0.775888 0.702740 O\n0.998477 0.831596 0.589356 O\n0.118921 0.050123 0.333037 O\n0.268994 0.369395 0.356800 O\n0.956166 0.875735 0.837094 O\n0.216884 0.406276 0.595584 O\n0.784263 0.610935 0.404315 O\n0.045045 0.119054 0.166078 O\n0.732243 0.629245 0.640502 O\n0.866107 0.950370 0.658716 O\n0.991828 0.159210 0.408070 O\n0.002388 0.231158 0.294885 O\n0.964405 0.250955 0.528019 O\n0.178439 0.677521 0.241398 O\n0.720352 0.879674 0.236858 O\n0.916359 0.299749 0.638033 O\n0.110239 0.668884 0.129649 O\n0.963168 0.401610 0.193555 O\n0.700796 0.935714 0.479429 O\n0.556093 0.666787 0.539247 O\n0.742197 0.035572 0.031175 O\n0.944216 0.451463 0.428906 O\n0.490734 0.660033 0.425998 O\n0.699278 0.079756 0.141456 O\n0.665168 0.109869 0.370142 O\n0.670385 0.171510 0.257508 O\n0.778330 0.363770 0.004581 O\n0.936709 0.687068 0.023653 O\n0.625167 0.210046 0.505538 O\n0.881443 0.726052 0.261935 O\n0.447202 0.944720 0.073535 O\n0.398405 0.962938 0.308130 O\n0.537047 0.285493 0.327514 O\n0.654548 0.488906 0.073800 O\n0.627941 0.581419 0.194475 O\n0.581054 0.624750 0.304213 O\n0.367061 0.273779 0.145557 O\n0.233661 0.015271 0.208950 O\n0.601960 0.785452 0.099565 O\n0.170632 0.993230 0.095449 O\n0.330801 0.453087 0.036649 O\n0.284167 0.541113 0.170322 O\n",
            "nsites": 120,
            "nelements": 5,
            "elements": [
                "Na",
                "Mg",
                "Zr",
                "P",
                "O"
            ],
            "chemical_system": "Mg-Na-O-P-Zr",
            "density": 2.949222257364641,
            "density_atomic": 0.07567176242289952,
            "volume": 1585.7962885728432,
            "volume_molar": 7.9582403887260345,
            "formula_full": "Na18 Mg6 Zr6 P18 O72",
            "formula_reduced": "Na3MgZr(PO4)3",
            "formula_anonymous": "ABC3D3E12",
            "energy": -890.11800584,
            "energy_per_atom": -7.417650048666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -840.65400584,
            "band_gap": 3.9455,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0038556,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:50.568000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1200214",
            "created_at": "2022-09-04T14:42:56.285013Z",
            "structure_string": "Nd4 B36 O72\n1.0\n0.005596 0.000000 7.885461\n9.954801 0.000000 -0.013571\n0.000000 16.409720 0.000000\nNd B O\n4 36 72\ndirect\n0.267265 0.638362 0.289084 Nd\n0.767265 0.138362 0.210916 Nd\n0.732735 0.361638 0.710916 Nd\n0.232735 0.861638 0.789084 Nd\n0.876770 0.530669 0.401546 B\n0.376770 0.030669 0.098454 B\n0.123230 0.469331 0.598454 B\n0.623230 0.969331 0.901546 B\n0.356571 0.776634 0.094593 B\n0.856571 0.276634 0.405407 B\n0.643429 0.223366 0.905407 B\n0.143429 0.723366 0.594593 B\n0.333607 0.896954 0.965069 B\n0.833607 0.396954 0.534931 B\n0.666393 0.103046 0.034931 B\n0.166393 0.603046 0.465069 B\n0.671368 0.636810 0.292091 B\n0.171368 0.136810 0.207909 B\n0.328632 0.363190 0.707909 B\n0.828632 0.863190 0.792091 B\n0.110287 0.375530 0.234582 B\n0.610287 0.875530 0.265418 B\n0.889713 0.624470 0.765418 B\n0.389713 0.124470 0.734582 B\n0.112334 0.907638 0.254193 B\n0.612334 0.407638 0.245807 B\n0.887666 0.092362 0.745807 B\n0.387666 0.592362 0.754193 B\n0.864942 0.515266 0.178441 B\n0.364942 0.015266 0.321559 B\n0.135058 0.484734 0.821559 B\n0.635058 0.984734 0.678441 B\n0.903647 0.665884 0.062136 B\n0.403647 0.165884 0.437864 B\n0.096353 0.334116 0.937864 B\n0.596353 0.834116 0.562136 B\n0.870675 0.776301 0.194876 B\n0.370675 0.276301 0.305124 B\n0.129325 0.223699 0.805124 B\n0.629325 0.723699 0.694876 B\n0.830389 0.522941 0.488859 O\n0.330389 0.022941 0.011141 O\n0.169611 0.477059 0.511141 O\n0.669611 0.977059 0.988859 O\n0.341642 0.661220 0.141603 O\n0.841642 0.161220 0.358397 O\n0.658358 0.338780 0.858397 O\n0.158358 0.838780 0.641603 O\n0.771580 0.632577 0.364425 O\n0.271580 0.132577 0.135575 O\n0.228420 0.367423 0.635575 O\n0.728420 0.867423 0.864425 O\n0.251486 0.901578 0.304802 O\n0.751486 0.401578 0.195198 O\n0.748514 0.098422 0.695198 O\n0.248514 0.598422 0.804802 O\n0.555467 0.752711 0.291576 O\n0.055467 0.252711 0.208424 O\n0.444533 0.247289 0.708424 O\n0.944533 0.747289 0.791576 O\n0.257475 0.387639 0.279754 O\n0.757475 0.887639 0.220246 O\n0.742525 0.612361 0.720246 O\n0.242525 0.112361 0.779754 O\n0.555866 0.523082 0.281582 O\n0.055866 0.023082 0.218418 O\n0.444134 0.476918 0.718418 O\n0.944134 0.976918 0.781582 O\n0.032383 0.495372 0.217800 O\n0.532383 0.995372 0.282200 O\n0.967617 0.504628 0.782200 O\n0.467617 0.004628 0.717800 O\n0.855725 0.396247 0.363321 O\n0.355725 0.896247 0.136679 O\n0.144275 0.603753 0.636679 O\n0.644275 0.103753 0.863321 O\n0.375499 0.774639 0.010779 O\n0.875499 0.274639 0.489221 O\n0.624501 0.225361 0.989221 O\n0.124501 0.725361 0.510779 O\n0.788359 0.643701 0.217642 O\n0.288359 0.143701 0.282358 O\n0.211641 0.356299 0.782358 O\n0.711641 0.856299 0.717642 O\n0.054768 0.577954 0.394129 O\n0.554768 0.077954 0.105871 O\n0.945232 0.422046 0.605871 O\n0.445232 0.922046 0.894129 O\n0.335280 0.633144 0.433449 O\n0.835280 0.133144 0.066551 O\n0.664720 0.366856 0.566551 O\n0.164720 0.866856 0.933449 O\n0.879077 0.538791 0.092415 O\n0.379077 0.038791 0.407585 O\n0.120923 0.461209 0.907585 O\n0.620923 0.961209 0.592415 O\n0.905161 0.779069 0.108858 O\n0.405161 0.279069 0.391142 O\n0.094839 0.220931 0.891142 O\n0.594839 0.720931 0.608858 O\n0.030609 0.787148 0.243315 O\n0.530609 0.287148 0.256685 O\n0.969391 0.212852 0.756685 O\n0.469391 0.712852 0.743315 O\n0.928437 0.675223 0.978065 O\n0.428437 0.175223 0.521935 O\n0.071563 0.324777 0.021935 O\n0.571563 0.824777 0.478065 O\n0.375004 0.488873 0.077068 O\n0.875004 0.988873 0.422932 O\n0.624996 0.511127 0.922932 O\n0.124996 0.011127 0.577068 O\n",
            "nsites": 112,
            "nelements": 3,
            "elements": [
                "Nd",
                "B",
                "O"
            ],
            "chemical_system": "B-Nd-O",
            "density": 2.7304772394133248,
            "density_atomic": 0.08694743225888915,
            "volume": 1288.134647455901,
            "volume_molar": 6.926185861439652,
            "formula_full": "Nd4 B36 O72",
            "formula_reduced": "Nd(BO2)9",
            "formula_anonymous": "AB9C18",
            "energy": -890.0895238700001,
            "energy_per_atom": -7.947227891696429,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -840.62552387,
            "band_gap": 0.0251,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 23.9933942,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:54.865000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1199471",
            "created_at": "2022-09-04T14:44:26.756550Z",
            "structure_string": "Ba2 Na2 Al2 Mo12 H52 O68\n1.0\n5.779407 12.005414 0.000000\n-5.779407 12.005414 0.000000\n0.000000 1.121566 11.266064\nBa Na Al Mo H O\n2 2 2 12 52 68\ndirect\n0.345200 0.654800 0.250000 Ba\n0.654800 0.345200 0.750000 Ba\n0.957518 0.042482 0.250000 Na\n0.042482 0.957518 0.750000 Na\n0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.966208 0.671607 0.220371 Mo\n0.328393 0.033792 0.279629 Mo\n0.033792 0.328393 0.779629 Mo\n0.671607 0.966208 0.720371 Mo\n0.832035 0.525281 0.248944 Mo\n0.474719 0.167965 0.251056 Mo\n0.167965 0.474719 0.751056 Mo\n0.525281 0.832035 0.748944 Mo\n0.865384 0.351008 0.029672 Mo\n0.648992 0.134616 0.470328 Mo\n0.134616 0.648992 0.970328 Mo\n0.351008 0.865384 0.529672 Mo\n0.809580 0.566857 0.873604 H\n0.433143 0.190420 0.626396 H\n0.190420 0.433143 0.126396 H\n0.566857 0.809580 0.373604 H\n0.221556 0.288815 0.930004 H\n0.711185 0.778444 0.569996 H\n0.778444 0.711185 0.069996 H\n0.288815 0.221556 0.430004 H\n0.928083 0.692569 0.849288 H\n0.307431 0.071917 0.650712 H\n0.071917 0.307431 0.150712 H\n0.692569 0.928083 0.349288 H\n0.214097 0.932254 0.152383 H\n0.067746 0.785903 0.347617 H\n0.785903 0.067746 0.847617 H\n0.932254 0.214097 0.652383 H\n0.148859 0.931725 0.045670 H\n0.068275 0.851141 0.454330 H\n0.851141 0.068275 0.954330 H\n0.931725 0.148859 0.545670 H\n0.566023 0.339691 0.194391 H\n0.660309 0.433977 0.305609 H\n0.433977 0.660309 0.805609 H\n0.339691 0.566023 0.694391 H\n0.509693 0.395920 0.069595 H\n0.604080 0.490307 0.430405 H\n0.490307 0.604080 0.930405 H\n0.395920 0.509693 0.569595 H\n0.253680 0.521020 0.459665 H\n0.478980 0.746320 0.040335 H\n0.746320 0.478980 0.540335 H\n0.521020 0.253680 0.959665 H\n0.391890 0.406973 0.413830 H\n0.593027 0.608110 0.086170 H\n0.608110 0.593027 0.586170 H\n0.406973 0.391890 0.913830 H\n0.775072 0.043511 0.127673 H\n0.956489 0.224928 0.372327 H\n0.224928 0.956489 0.872327 H\n0.043511 0.775072 0.627673 H\n0.907870 0.915634 0.088792 H\n0.084366 0.092130 0.411208 H\n0.092130 0.084366 0.911208 H\n0.915634 0.907870 0.588792 H\n0.581710 0.891556 0.099453 H\n0.108444 0.418290 0.400547 H\n0.418290 0.108444 0.900547 H\n0.891556 0.581710 0.599453 H\n0.607980 0.870537 0.962236 H\n0.129463 0.392020 0.537764 H\n0.392020 0.129463 0.037764 H\n0.870537 0.607980 0.462236 H\n0.890123 0.490458 0.909510 O\n0.509542 0.109877 0.590490 O\n0.109877 0.509542 0.090490 O\n0.490458 0.890123 0.409510 O\n0.135526 0.367511 0.899873 O\n0.632489 0.864474 0.600127 O\n0.864474 0.632489 0.100127 O\n0.367511 0.135526 0.399873 O\n0.005895 0.613277 0.886491 O\n0.386723 0.994105 0.613509 O\n0.994105 0.386723 0.113509 O\n0.613277 0.005895 0.386491 O\n0.980548 0.754337 0.075008 O\n0.245663 0.019452 0.424992 O\n0.019452 0.245663 0.924992 O\n0.754337 0.980548 0.575008 O\n0.822245 0.808694 0.277664 O\n0.191306 0.177755 0.222336 O\n0.177755 0.191306 0.722336 O\n0.808694 0.822245 0.777664 O\n0.087576 0.646662 0.298705 O\n0.353338 0.912424 0.201295 O\n0.912424 0.353338 0.701295 O\n0.646662 0.087576 0.798705 O\n0.961258 0.538463 0.305214 O\n0.461537 0.038742 0.194786 O\n0.038742 0.461537 0.694786 O\n0.538463 0.961258 0.805214 O\n0.693372 0.666717 0.305407 O\n0.333283 0.306628 0.194593 O\n0.306628 0.333283 0.694593 O\n0.666717 0.693372 0.805407 O\n0.866716 0.400573 0.349063 O\n0.599427 0.133284 0.150937 O\n0.133284 0.599427 0.650937 O\n0.400573 0.866716 0.849063 O\n0.752387 0.503809 0.126347 O\n0.496191 0.247613 0.373653 O\n0.247613 0.496191 0.873653 O\n0.503809 0.752387 0.626347 O\n0.895921 0.232056 0.133170 O\n0.767944 0.104079 0.366830 O\n0.104079 0.767944 0.866830 O\n0.232056 0.895921 0.633170 O\n0.751463 0.377095 0.939005 O\n0.622905 0.248537 0.560995 O\n0.248537 0.622905 0.060995 O\n0.377095 0.751463 0.439005 O\n0.160691 0.908776 0.132378 O\n0.091224 0.839309 0.367622 O\n0.839309 0.091224 0.867622 O\n0.908776 0.160691 0.632378 O\n0.522104 0.418578 0.145262 O\n0.581422 0.477896 0.354738 O\n0.477896 0.581422 0.854738 O\n0.418578 0.522104 0.645262 O\n0.337642 0.498354 0.435918 O\n0.501646 0.662358 0.064082 O\n0.662358 0.501646 0.564082 O\n0.498354 0.337642 0.935918 O\n0.863659 0.007684 0.100681 O\n0.992316 0.136341 0.399319 O\n0.136341 0.992316 0.899319 O\n0.007684 0.863659 0.600681 O\n0.631523 0.824792 0.040340 O\n0.175208 0.368477 0.459660 O\n0.368477 0.175208 0.959660 O\n0.824792 0.631523 0.540340 O\n",
            "nsites": 138,
            "nelements": 6,
            "elements": [
                "Ba",
                "Na",
                "Al",
                "Mo",
                "H",
                "O"
            ],
            "chemical_system": "Al-Ba-H-Mo-Na-O",
            "density": 2.8319600536603904,
            "density_atomic": 0.08827067670746261,
            "volume": 1563.3730831966438,
            "volume_molar": 6.822357077829985,
            "formula_full": "Ba2 Na2 Al2 Mo12 H52 O68",
            "formula_reduced": "BaNaAlMo6(H13O17)2",
            "formula_anonymous": "ABCD6E26F34",
            "energy": -889.9361129,
            "energy_per_atom": -6.448812412318841,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -804.7961129,
            "band_gap": 3.4128,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0639711,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:36.509000Z",
            "spacegroup": 15
        }
    ]
}