GET /third-parties/OqmdStructure/?format=api&ordering=-nsites&page=25
HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept

{
    "count": 1013513,
    "next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-nsites&page=26",
    "previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-nsites&page=24",
    "results": [
        {
            "id": "oqmd-687446",
            "created_at": "2022-09-04T15:52:22.126756Z",
            "updated_at": "2022-09-04T15:52:22.126787Z",
            "structure_string": "H56 C20 Br4 N12\n1.0\n7.069542 0.000000 0.000000\n0.000000 12.897578 0.000000\n-4.701148 0.000000 8.874210\nBr C H N\n4 20 56 12\ndirect\n0.590909 0.915760 0.246369 Br\n0.409091 0.415760 0.253631 Br\n0.590909 0.584240 0.746369 Br\n0.409091 0.084240 0.753631 Br\n0.113357 0.742446 0.038067 C\n0.234824 0.170705 0.041990 C\n0.636895 0.630297 0.142022 C\n0.998512 0.116894 0.146698 C\n0.858609 0.478825 0.162822 C\n0.141391 0.978825 0.337178 C\n0.001488 0.616894 0.353302 C\n0.363105 0.130297 0.357978 C\n0.765176 0.670705 0.458010 C\n0.886643 0.242446 0.461933 C\n0.113357 0.757554 0.538067 C\n0.234824 0.329295 0.541990 C\n0.636895 0.869703 0.642022 C\n0.998512 0.383106 0.646698 C\n0.858609 0.021175 0.662822 C\n0.141391 0.521175 0.837178 C\n0.001488 0.883106 0.853302 C\n0.363105 0.369703 0.857978 C\n0.765176 0.829295 0.958010 C\n0.886643 0.257554 0.961933 C\n0.769066 0.272454 0.001788 H\n0.320461 0.902963 0.003882 H\n0.602104 0.629248 0.023104 H\n0.029111 0.669970 0.033864 H\n0.847165 0.492391 0.051007 H\n0.811611 0.829947 0.078882 H\n0.314287 0.097023 0.090382 H\n0.346340 0.235333 0.095656 H\n0.725505 0.428520 0.150206 H\n0.507440 0.589761 0.152360 H\n0.199337 0.770255 0.155250 H\n0.754597 0.049964 0.176435 H\n0.648029 0.710817 0.179708 H\n0.010975 0.440535 0.234784 H\n0.989025 0.940535 0.265216 H\n0.351971 0.210817 0.320292 H\n0.245403 0.549964 0.323565 H\n0.800663 0.270255 0.344750 H\n0.492560 0.089761 0.347640 H\n0.274495 0.928520 0.349794 H\n0.653660 0.735333 0.404344 H\n0.685713 0.597023 0.409618 H\n0.188389 0.329947 0.421118 H\n0.152835 0.992391 0.448993 H\n0.970889 0.169970 0.466136 H\n0.397896 0.129248 0.476896 H\n0.679539 0.402963 0.496118 H\n0.230934 0.772454 0.498212 H\n0.769066 0.227546 0.501788 H\n0.320461 0.597037 0.503882 H\n0.602104 0.870752 0.523104 H\n0.029111 0.830030 0.533864 H\n0.847165 0.007609 0.551007 H\n0.811611 0.670053 0.578882 H\n0.314287 0.402977 0.590382 H\n0.346340 0.264667 0.595656 H\n0.725505 0.071480 0.650206 H\n0.507440 0.910239 0.652360 H\n0.199337 0.729745 0.655250 H\n0.754597 0.450036 0.676435 H\n0.648029 0.789183 0.679708 H\n0.010975 0.059465 0.734784 H\n0.989025 0.559465 0.765216 H\n0.351971 0.289183 0.820292 H\n0.245403 0.950036 0.823565 H\n0.800663 0.229745 0.844750 H\n0.492560 0.410239 0.847640 H\n0.274495 0.571480 0.849794 H\n0.653660 0.764667 0.904344 H\n0.685713 0.902977 0.909618 H\n0.188389 0.170053 0.921118 H\n0.152835 0.507609 0.948993 H\n0.970889 0.330030 0.966136 H\n0.397896 0.370752 0.976896 H\n0.679539 0.097037 0.996118 H\n0.230934 0.727546 0.998212 H\n0.042984 0.182424 0.060107 N\n0.793711 0.095651 0.108670 N\n0.839680 0.576279 0.228321 N\n0.160320 0.076279 0.271679 N\n0.206289 0.595651 0.391330 N\n0.957016 0.682424 0.439893 N\n0.042984 0.317576 0.560107 N\n0.793711 0.404349 0.608670 N\n0.839680 0.923721 0.728321 N\n0.160320 0.423721 0.771679 N\n0.206289 0.904349 0.891330 N\n0.957016 0.817576 0.939893 N\n",
            "nsites": 92,
            "nelements": 4,
            "elements": [
                "Br",
                "C",
                "H",
                "N"
            ],
            "chemical_system": "Br-C-H-N",
            "density": 1.6096544158068717,
            "density_atomic": 0.11369953372991504,
            "volume": 809.1501959765227,
            "volume_molar": 5.296539539295876,
            "formula_full": "H56 C20 Br4 N12",
            "formula_reduced": "H14C5BrN3",
            "formula_anonymous": "AB3C5D14",
            "formation_energy": -0.2399230075662961,
            "spacegroup": 14
        },
        {
            "id": "oqmd-676839",
            "created_at": "2022-09-04T15:52:21.589243Z",
            "updated_at": "2022-09-04T15:52:21.589275Z",
            "structure_string": "Na2 P6 H48 N8 O28\n1.0\n5.689966 -3.506845 0.000000\n5.689966 3.506845 0.000000\n-5.243207 0.000000 19.071544\nH N Na O P\n48 8 2 28 6\ndirect\n0.463703 0.235760 0.001867 H\n0.796095 0.591242 0.041620 H\n0.689601 0.882971 0.057365 H\n0.555881 0.749542 0.081461 H\n0.167740 0.356328 0.081540 H\n0.948066 0.358205 0.099322 H\n0.285110 0.672429 0.103237 H\n0.189635 0.925100 0.135987 H\n0.278212 0.423514 0.200168 H\n0.633618 0.662099 0.215389 H\n0.123290 0.325326 0.228927 H\n0.402659 0.901284 0.242056 H\n0.098716 0.597341 0.257944 H\n0.674674 0.876710 0.271073 H\n0.337901 0.366382 0.284611 H\n0.576486 0.721788 0.299832 H\n0.074900 0.810365 0.364013 H\n0.327571 0.714890 0.396763 H\n0.641795 0.051934 0.400678 H\n0.643672 0.832260 0.418460 H\n0.250458 0.444119 0.418539 H\n0.117029 0.310399 0.442635 H\n0.408758 0.203905 0.458380 H\n0.764240 0.536297 0.498133 H\n0.235760 0.463703 0.501867 H\n0.591242 0.796095 0.541620 H\n0.882971 0.689601 0.557365 H\n0.749542 0.555881 0.581461 H\n0.356328 0.167740 0.581540 H\n0.358205 0.948066 0.599322 H\n0.672429 0.285110 0.603237 H\n0.925100 0.189635 0.635987 H\n0.423514 0.278212 0.700168 H\n0.662099 0.633618 0.715389 H\n0.325326 0.123290 0.728927 H\n0.901284 0.402659 0.742056 H\n0.597341 0.098716 0.757944 H\n0.876710 0.674674 0.771073 H\n0.366382 0.337901 0.784611 H\n0.721788 0.576486 0.799832 H\n0.810365 0.074900 0.864013 H\n0.714890 0.327571 0.896763 H\n0.051934 0.641795 0.900678 H\n0.832260 0.643672 0.918460 H\n0.444119 0.250458 0.918539 H\n0.310399 0.117029 0.942635 H\n0.203905 0.408758 0.958380 H\n0.536297 0.764240 0.998133 H\n0.649149 0.742609 0.044856 N\n0.207424 0.429692 0.243267 N\n0.570308 0.792576 0.256733 N\n0.257391 0.350851 0.455144 N\n0.742609 0.649149 0.544856 N\n0.429692 0.207424 0.743267 N\n0.792576 0.570308 0.756733 N\n0.350851 0.257391 0.955144 N\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.027899 0.335306 0.059297 O\n0.703098 0.129211 0.064439 O\n0.253642 0.824725 0.093853 O\n0.376835 0.418750 0.128316 O\n0.757520 0.443306 0.155609 O\n0.702561 0.128578 0.192785 O\n0.120802 0.050046 0.218108 O\n0.949954 0.879198 0.281892 O\n0.871422 0.297439 0.307215 O\n0.556694 0.242480 0.344391 O\n0.581250 0.623165 0.371684 O\n0.175275 0.746358 0.406147 O\n0.870789 0.296902 0.435561 O\n0.664694 0.972101 0.440703 O\n0.335306 0.027899 0.559297 O\n0.129211 0.703098 0.564439 O\n0.824725 0.253642 0.593853 O\n0.418750 0.376835 0.628316 O\n0.443306 0.757520 0.655609 O\n0.128578 0.702561 0.692785 O\n0.050046 0.120802 0.718108 O\n0.879198 0.949954 0.781892 O\n0.297439 0.871422 0.807215 O\n0.242480 0.556694 0.844391 O\n0.623165 0.581250 0.871684 O\n0.746358 0.175275 0.906147 O\n0.296902 0.870789 0.935561 O\n0.972101 0.664694 0.940703 O\n0.633990 0.290493 0.131130 P\n0.925608 0.074392 0.250000 P\n0.709507 0.366010 0.368870 P\n0.290493 0.633990 0.631130 P\n0.074392 0.925608 0.750000 P\n0.366010 0.709507 0.868870 P\n",
            "nsites": 92,
            "nelements": 5,
            "elements": [
                "H",
                "N",
                "Na",
                "O",
                "P"
            ],
            "chemical_system": "H-N-Na-O-P",
            "density": 1.8332022168028317,
            "density_atomic": 0.1208775740496558,
            "volume": 761.1006485140655,
            "volume_molar": 4.982016562911943,
            "formula_full": "Na2 P6 H48 N8 O28",
            "formula_reduced": "NaP3H24(N2O7)2",
            "formula_anonymous": "AB3C4D14E24",
            "formation_energy": -1.3165240068223538,
            "spacegroup": 15
        },
        {
            "id": "oqmd-1338496",
            "created_at": "2022-09-04T15:45:52.928611Z",
            "updated_at": "2022-09-04T15:45:52.928627Z",
            "structure_string": "Na42 Ag50\n1.0\n13.698186 7.908652 3.099791\n-13.698186 7.908652 3.099791\n0.000000 -15.817303 3.099791\nAg Na\n50 42\ndirect\n0.000000 0.000000 0.000000 Ag\n0.431890 0.314616 0.018877 Ag\n0.481123 0.185384 0.068110 Ag\n0.310661 0.371896 0.074610 Ag\n0.765740 0.121046 0.120746 Ag\n0.120746 0.765740 0.121046 Ag\n0.189339 0.425390 0.128105 Ag\n0.068110 0.481123 0.185384 Ag\n0.425390 0.128105 0.189339 Ag\n0.250000 0.310027 0.189973 Ag\n0.750000 0.307514 0.192486 Ag\n0.878954 0.879253 0.234260 Ag\n0.692485 0.807514 0.250000 Ag\n0.310027 0.189973 0.250000 Ag\n0.620747 0.621046 0.265740 Ag\n0.192486 0.750000 0.307514 Ag\n0.189973 0.250000 0.310027 Ag\n0.371895 0.074611 0.310661 Ag\n0.018877 0.431890 0.314616 Ag\n0.074610 0.310661 0.371895 Ag\n0.734260 0.379254 0.378954 Ag\n0.378954 0.734260 0.379254 Ag\n0.128105 0.189339 0.425390 Ag\n0.314616 0.018877 0.431890 Ag\n0.185384 0.068110 0.481123 Ag\n0.500000 0.500000 0.500000 Ag\n0.814617 0.931891 0.518877 Ag\n0.685383 0.981123 0.568109 Ag\n0.871896 0.810662 0.574611 Ag\n0.621046 0.265740 0.620747 Ag\n0.265740 0.620747 0.621046 Ag\n0.925389 0.689338 0.628104 Ag\n0.981122 0.568109 0.685383 Ag\n0.628104 0.925389 0.689339 Ag\n0.810027 0.750000 0.689973 Ag\n0.807514 0.250000 0.692485 Ag\n0.379254 0.378954 0.734261 Ag\n0.689973 0.810027 0.750000 Ag\n0.307514 0.192486 0.750000 Ag\n0.121046 0.120747 0.765740 Ag\n0.249999 0.692486 0.807514 Ag\n0.750000 0.689973 0.810027 Ag\n0.574611 0.871896 0.810661 Ag\n0.931891 0.518878 0.814617 Ag\n0.810662 0.574611 0.871896 Ag\n0.879253 0.234260 0.878954 Ag\n0.234260 0.878953 0.879253 Ag\n0.689338 0.628104 0.925389 Ag\n0.518877 0.814617 0.931891 Ag\n0.568109 0.685383 0.981123 Ag\n0.270302 0.817268 0.044015 Na\n0.138422 0.560666 0.049275 Na\n0.818314 0.935418 0.051387 Na\n0.444260 0.750000 0.055740 Na\n0.638421 0.549275 0.060665 Na\n0.948613 0.181686 0.064582 Na\n0.560666 0.049276 0.138422 Na\n0.064582 0.948613 0.181686 Na\n0.955985 0.729697 0.182731 Na\n0.455985 0.682732 0.229698 Na\n0.944260 0.555739 0.250000 Na\n0.817268 0.044015 0.270303 Na\n0.770303 0.544016 0.317268 Na\n0.551388 0.435418 0.318314 Na\n0.450725 0.939334 0.361579 Na\n0.318314 0.551388 0.435418 Na\n0.950724 0.861578 0.439333 Na\n0.750000 0.055740 0.444260 Na\n0.564583 0.681686 0.448613 Na\n0.939334 0.361579 0.450725 Na\n0.682732 0.229698 0.455985 Na\n0.317269 0.770303 0.544016 Na\n0.060666 0.638421 0.549275 Na\n0.435418 0.318314 0.551388 Na\n0.250000 0.944259 0.555739 Na\n0.049275 0.138422 0.560666 Na\n0.681686 0.448613 0.564583 Na\n0.549275 0.060666 0.638421 Na\n0.448613 0.564582 0.681686 Na\n0.229697 0.455985 0.682732 Na\n0.182732 0.955984 0.729697 Na\n0.055740 0.444260 0.750000 Na\n0.544016 0.317269 0.770303 Na\n0.044015 0.270303 0.817268 Na\n0.935417 0.051387 0.818314 Na\n0.439334 0.950724 0.861578 Na\n0.051387 0.818314 0.935417 Na\n0.361579 0.450725 0.939334 Na\n0.555739 0.250000 0.944260 Na\n0.181686 0.064582 0.948613 Na\n0.861578 0.439333 0.950724 Na\n0.729697 0.182731 0.955984 Na\n",
            "nsites": 92,
            "nelements": 2,
            "elements": [
                "Ag",
                "Na"
            ],
            "chemical_system": "Ag-Na",
            "density": 5.240677170939716,
            "density_atomic": 0.045660289148085086,
            "volume": 2014.8799255656559,
            "volume_molar": 13.189011441581199,
            "formula_full": "Na42 Ag50",
            "formula_reduced": "Na21Ag25",
            "formula_anonymous": "A21B25",
            "formation_energy": -0.1213494340301,
            "spacegroup": 167
        },
        {
            "id": "oqmd-684592",
            "created_at": "2022-09-04T15:52:21.351726Z",
            "updated_at": "2022-09-04T15:52:21.351751Z",
            "structure_string": "Na12 B24 N4 O52\n1.0\n12.417354 0.000000 0.000000\n0.000000 9.897289 0.000000\n0.000000 0.000000 7.457953\nB N Na O\n24 4 12 52\ndirect\n0.259552 0.516219 0.029896 B\n0.259552 0.983781 0.029896 B\n0.689107 0.250000 0.053365 B\n0.837531 0.120596 0.221980 B\n0.837531 0.379404 0.221980 B\n0.507185 0.250000 0.226384 B\n0.007185 0.250000 0.273616 B\n0.337531 0.120596 0.278020 B\n0.337531 0.379404 0.278020 B\n0.189107 0.250000 0.446635 B\n0.759552 0.516219 0.470104 B\n0.759552 0.983781 0.470104 B\n0.240448 0.016219 0.529896 B\n0.240448 0.483781 0.529896 B\n0.810893 0.750000 0.553365 B\n0.662469 0.620596 0.721980 B\n0.662469 0.879404 0.721980 B\n0.992815 0.750000 0.726384 B\n0.492815 0.750000 0.773616 B\n0.162469 0.620596 0.778020 B\n0.162469 0.879404 0.778020 B\n0.310893 0.750000 0.946635 B\n0.740448 0.016219 0.970104 B\n0.740448 0.483781 0.970104 B\n0.052128 0.750000 0.212010 N\n0.552128 0.750000 0.287990 N\n0.447872 0.250000 0.712010 N\n0.947872 0.250000 0.787990 N\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.000000 Na\n0.000000 0.500000 0.000000 Na\n0.500000 0.500000 0.000000 Na\n0.784222 0.750000 0.126250 Na\n0.284222 0.750000 0.373750 Na\n0.000000 0.000000 0.500000 Na\n0.500000 0.000000 0.500000 Na\n0.000000 0.500000 0.500000 Na\n0.500000 0.500000 0.500000 Na\n0.715778 0.250000 0.626250 Na\n0.215778 0.250000 0.873750 Na\n0.322033 0.629073 0.059845 O\n0.322033 0.870927 0.059845 O\n0.821239 0.011386 0.095457 O\n0.821239 0.488614 0.095457 O\n0.977640 0.750000 0.095681 O\n0.276961 0.102710 0.115454 O\n0.276961 0.397290 0.115454 O\n0.802028 0.250000 0.133269 O\n0.613672 0.250000 0.197030 O\n0.590196 0.638894 0.231640 O\n0.590196 0.861106 0.231640 O\n0.453254 0.129071 0.241332 O\n0.453254 0.370929 0.241332 O\n0.953254 0.129071 0.258668 O\n0.953254 0.370929 0.258668 O\n0.090196 0.638894 0.268360 O\n0.090196 0.861106 0.268360 O\n0.113672 0.250000 0.302970 O\n0.302028 0.250000 0.366731 O\n0.776961 0.102710 0.384546 O\n0.776961 0.397290 0.384546 O\n0.477640 0.750000 0.404319 O\n0.321239 0.011386 0.404543 O\n0.321239 0.488614 0.404543 O\n0.822033 0.629073 0.440155 O\n0.822033 0.870927 0.440155 O\n0.177967 0.129073 0.559845 O\n0.177967 0.370927 0.559845 O\n0.678761 0.511386 0.595457 O\n0.678761 0.988614 0.595457 O\n0.522360 0.250000 0.595681 O\n0.223039 0.602710 0.615454 O\n0.223039 0.897290 0.615454 O\n0.697972 0.750000 0.633269 O\n0.886328 0.750000 0.697030 O\n0.909804 0.138894 0.731640 O\n0.909804 0.361106 0.731640 O\n0.046746 0.629071 0.741332 O\n0.046746 0.870929 0.741332 O\n0.546746 0.629071 0.758668 O\n0.546746 0.870929 0.758668 O\n0.409804 0.138894 0.768360 O\n0.409804 0.361106 0.768360 O\n0.386328 0.750000 0.802970 O\n0.197972 0.750000 0.866731 O\n0.723039 0.602710 0.884546 O\n0.723039 0.897290 0.884546 O\n0.022360 0.250000 0.904319 O\n0.178761 0.511386 0.904543 O\n0.178761 0.988614 0.904543 O\n0.677967 0.129073 0.940155 O\n0.677967 0.370927 0.940155 O\n",
            "nsites": 92,
            "nelements": 4,
            "elements": [
                "B",
                "N",
                "Na",
                "O"
            ],
            "chemical_system": "B-N-Na-O",
            "density": 2.578646612199006,
            "density_atomic": 0.10037437892146045,
            "volume": 916.5685605087219,
            "volume_molar": 5.999679225624023,
            "formula_full": "Na12 B24 N4 O52",
            "formula_reduced": "Na3B6NO13",
            "formula_anonymous": "AB3C6D13",
            "formation_energy": -2.3444820563835767,
            "spacegroup": 62
        },
        {
            "id": "oqmd-1338522",
            "created_at": "2022-09-04T15:45:48.533364Z",
            "updated_at": "2022-09-04T15:45:48.533390Z",
            "structure_string": "Be68 Au24\n1.0\n5.611228 -8.144517 0.000000\n5.611228 8.144517 0.000000\n0.000000 0.000000 10.621132\nAu Be\n24 68\ndirect\n0.430575 0.124257 0.000000 Au\n0.859168 0.203077 0.000000 Au\n0.185946 0.247920 0.000000 Au\n0.814055 0.752080 0.000000 Au\n0.140833 0.796923 0.000000 Au\n0.569425 0.875743 0.000000 Au\n0.056424 0.387755 0.204831 Au\n0.943576 0.612245 0.204831 Au\n0.290304 0.290304 0.250000 Au\n0.709697 0.709697 0.250000 Au\n0.387755 0.056424 0.295168 Au\n0.612245 0.943576 0.295168 Au\n0.796923 0.140833 0.500000 Au\n0.247920 0.185946 0.500000 Au\n0.124257 0.430575 0.500000 Au\n0.875743 0.569425 0.500000 Au\n0.752080 0.814055 0.500000 Au\n0.203077 0.859168 0.500000 Au\n0.387755 0.056424 0.704832 Au\n0.612245 0.943576 0.704832 Au\n0.290304 0.290304 0.750000 Au\n0.709697 0.709697 0.750000 Au\n0.056424 0.387755 0.795169 Au\n0.943576 0.612245 0.795169 Au\n0.000000 0.000000 0.000000 Be\n0.658429 0.312975 0.000000 Be\n0.463842 0.384949 0.000000 Be\n0.872945 0.487289 0.000000 Be\n0.127056 0.512711 0.000000 Be\n0.536158 0.615052 0.000000 Be\n0.341572 0.687025 0.000000 Be\n0.316945 0.491978 0.105128 Be\n0.683055 0.508022 0.105128 Be\n0.199772 0.031152 0.122368 Be\n0.800228 0.968848 0.122368 Be\n0.634873 0.114798 0.125812 Be\n0.365128 0.885203 0.125812 Be\n0.784736 0.346139 0.173143 Be\n0.215264 0.653861 0.173143 Be\n0.021462 0.119387 0.175987 Be\n0.978538 0.880613 0.175987 Be\n0.541613 0.297136 0.183467 Be\n0.458387 0.702865 0.183467 Be\n0.836209 0.163792 0.250000 Be\n0.500000 0.500000 0.250000 Be\n0.163792 0.836209 0.250000 Be\n0.702865 0.458387 0.316532 Be\n0.297136 0.541613 0.316532 Be\n0.119387 0.021462 0.324013 Be\n0.880613 0.978538 0.324013 Be\n0.653861 0.215264 0.326857 Be\n0.346139 0.784736 0.326857 Be\n0.885203 0.365128 0.374187 Be\n0.114798 0.634873 0.374187 Be\n0.031152 0.199772 0.377631 Be\n0.968848 0.800228 0.377631 Be\n0.491978 0.316945 0.394871 Be\n0.508022 0.683055 0.394871 Be\n0.000000 0.000000 0.500000 Be\n0.512711 0.127056 0.500000 Be\n0.687025 0.341572 0.500000 Be\n0.384949 0.463842 0.500000 Be\n0.615052 0.536158 0.500000 Be\n0.312975 0.658429 0.500000 Be\n0.487289 0.872945 0.500000 Be\n0.491978 0.316945 0.605129 Be\n0.508022 0.683055 0.605129 Be\n0.031152 0.199772 0.622369 Be\n0.968848 0.800228 0.622369 Be\n0.885203 0.365128 0.625813 Be\n0.114798 0.634873 0.625813 Be\n0.653861 0.215264 0.673143 Be\n0.346139 0.784736 0.673143 Be\n0.119387 0.021462 0.675987 Be\n0.880613 0.978538 0.675987 Be\n0.702865 0.458387 0.683468 Be\n0.297136 0.541613 0.683468 Be\n0.836209 0.163792 0.750000 Be\n0.500000 0.500000 0.750000 Be\n0.163792 0.836209 0.750000 Be\n0.541613 0.297136 0.816533 Be\n0.458387 0.702865 0.816533 Be\n0.021462 0.119387 0.824013 Be\n0.978538 0.880613 0.824013 Be\n0.784736 0.346139 0.826857 Be\n0.215264 0.653861 0.826857 Be\n0.634873 0.114798 0.874187 Be\n0.365128 0.885203 0.874187 Be\n0.199772 0.031152 0.877631 Be\n0.800228 0.968848 0.877631 Be\n0.316945 0.491978 0.894872 Be\n0.683055 0.508022 0.894872 Be\n",
            "nsites": 92,
            "nelements": 2,
            "elements": [
                "Au",
                "Be"
            ],
            "chemical_system": "Au-Be",
            "density": 9.134155901361078,
            "density_atomic": 0.0947684495750922,
            "volume": 970.7872230947648,
            "volume_molar": 6.354584027702388,
            "formula_full": "Be68 Au24",
            "formula_reduced": "Be17Au6",
            "formula_anonymous": "A6B17",
            "formation_energy": -0.101956209565217,
            "spacegroup": 66
        },
        {
            "id": "oqmd-683565",
            "created_at": "2022-09-04T15:52:22.687015Z",
            "updated_at": "2022-09-04T15:52:22.687035Z",
            "structure_string": "Na2 Ca18 Mg2 P14 O56\n1.0\n5.132036 2.962983 12.229335\n-5.132036 2.962983 12.229335\n0.000000 -5.925965 12.229335\nCa Mg Na O P\n18 2 2 56 14\ndirect\n0.444069 0.053165 0.030136 Ca\n0.030136 0.444069 0.053166 Ca\n0.094653 0.652564 0.061808 Ca\n0.652564 0.061808 0.094653 Ca\n0.594652 0.561808 0.152564 Ca\n0.937389 0.927787 0.339520 Ca\n0.437389 0.839520 0.427787 Ca\n0.839520 0.427787 0.437390 Ca\n0.053166 0.030136 0.444068 Ca\n0.553165 0.944069 0.530136 Ca\n0.944069 0.530136 0.553166 Ca\n0.152564 0.594653 0.561807 Ca\n0.561807 0.152564 0.594653 Ca\n0.061808 0.094653 0.652564 Ca\n0.427787 0.437389 0.839521 Ca\n0.339520 0.937390 0.927787 Ca\n0.927787 0.339520 0.937390 Ca\n0.530136 0.553166 0.944068 Ca\n0.499611 0.499611 0.499611 Mg\n0.999611 0.999611 0.999611 Mg\n0.313516 0.313516 0.313516 Na\n0.813516 0.813516 0.813516 Na\n0.750714 0.649087 0.080385 O\n0.420512 0.852808 0.099312 O\n0.246801 0.391761 0.106956 O\n0.391581 0.665882 0.110326 O\n0.652391 0.868541 0.119096 O\n0.127049 0.853396 0.122356 O\n0.853396 0.122356 0.127049 O\n0.885282 0.865863 0.135271 O\n0.875745 0.324450 0.148173 O\n0.250714 0.580384 0.149088 O\n0.619096 0.368542 0.152391 O\n0.891582 0.610325 0.165882 O\n0.192346 0.192346 0.192346 O\n0.391761 0.106956 0.246801 O\n0.580384 0.149088 0.250714 O\n0.330174 0.889036 0.312321 O\n0.148172 0.875745 0.324450 O\n0.889037 0.312320 0.330174 O\n0.920512 0.599312 0.352809 O\n0.627048 0.622356 0.353396 O\n0.385282 0.635271 0.365863 O\n0.152392 0.619095 0.368541 O\n0.648173 0.824450 0.375745 O\n0.635270 0.365863 0.385282 O\n0.830175 0.812320 0.389036 O\n0.665882 0.110325 0.391582 O\n0.106956 0.246801 0.391761 O\n0.852808 0.099312 0.420513 O\n0.149087 0.250713 0.580385 O\n0.352808 0.920513 0.599311 O\n0.891761 0.746801 0.606956 O\n0.165882 0.891582 0.610325 O\n0.368541 0.152391 0.619096 O\n0.353396 0.627049 0.622356 O\n0.622357 0.353396 0.627049 O\n0.365862 0.385282 0.635271 O\n0.824450 0.375745 0.648173 O\n0.080385 0.750713 0.649088 O\n0.868541 0.119096 0.652392 O\n0.110325 0.391582 0.665882 O\n0.692346 0.692346 0.692346 O\n0.606956 0.891761 0.746800 O\n0.649087 0.080385 0.750714 O\n0.389036 0.830175 0.812320 O\n0.375745 0.648173 0.824450 O\n0.812320 0.389036 0.830175 O\n0.099312 0.420512 0.852808 O\n0.122357 0.127049 0.853396 O\n0.135271 0.885282 0.865863 O\n0.119096 0.652391 0.868541 O\n0.324450 0.148173 0.875745 O\n0.865862 0.135271 0.885282 O\n0.312320 0.330175 0.889037 O\n0.610326 0.165882 0.891581 O\n0.746801 0.606956 0.891761 O\n0.599311 0.352809 0.920512 O\n0.728765 0.692020 0.176046 P\n0.228765 0.676046 0.192019 P\n0.676046 0.192020 0.228765 P\n0.234368 0.234368 0.234368 P\n0.320175 0.814070 0.274424 P\n0.820175 0.774425 0.314070 P\n0.814070 0.274425 0.320174 P\n0.192019 0.228765 0.676046 P\n0.176046 0.728766 0.692019 P\n0.692020 0.176045 0.728766 P\n0.734368 0.734368 0.734368 P\n0.314070 0.820175 0.774424 P\n0.274424 0.320174 0.814071 P\n0.774424 0.314071 0.820175 P\n",
            "nsites": 92,
            "nelements": 5,
            "elements": [
                "Ca",
                "Mg",
                "Na",
                "O",
                "P"
            ],
            "chemical_system": "Ca-Mg-Na-O-P",
            "density": 3.1931804681922853,
            "density_atomic": 0.08245460775469332,
            "volume": 1115.7654193650974,
            "volume_molar": 7.303583054953312,
            "formula_full": "Na2 Ca18 Mg2 P14 O56",
            "formula_reduced": "NaCa9Mg(PO4)7",
            "formula_anonymous": "ABC7D9E28",
            "formation_energy": -3.1588520739639785,
            "spacegroup": 161
        },
        {
            "id": "oqmd-685245",
            "created_at": "2022-09-04T15:52:22.640694Z",
            "updated_at": "2022-09-04T15:52:22.640720Z",
            "structure_string": "H32 C4 N8 Cl8 O40\n1.0\n7.912297 0.000000 0.000000\n0.000000 11.184508 0.000000\n0.000000 0.000000 9.334712\nC Cl H N O\n4 8 32 8 40\ndirect\n0.000000 0.075652 0.250000 C\n0.500000 0.575652 0.250000 C\n0.500000 0.424348 0.750000 C\n0.000000 0.924348 0.750000 C\n0.475466 0.176009 0.038462 Cl\n0.024534 0.676009 0.038462 Cl\n0.524534 0.176009 0.461538 Cl\n0.975466 0.676009 0.461538 Cl\n0.024534 0.323991 0.538462 Cl\n0.475466 0.823991 0.538462 Cl\n0.975466 0.323991 0.961538 Cl\n0.524534 0.823991 0.961538 Cl\n0.067871 0.130001 0.171533 H\n0.432129 0.630001 0.171533 H\n0.284118 0.000360 0.177976 H\n0.215882 0.500360 0.177976 H\n0.813846 0.402531 0.184522 H\n0.686154 0.902531 0.184522 H\n0.339745 0.374555 0.188735 H\n0.160255 0.874555 0.188735 H\n0.660255 0.374555 0.311265 H\n0.839745 0.874555 0.311265 H\n0.186154 0.402531 0.315478 H\n0.313846 0.902531 0.315478 H\n0.715882 0.000360 0.322024 H\n0.784118 0.500360 0.322024 H\n0.932129 0.130001 0.328467 H\n0.567871 0.630001 0.328467 H\n0.432129 0.369999 0.671533 H\n0.067871 0.869999 0.671533 H\n0.215882 0.499640 0.677976 H\n0.284118 0.999640 0.677976 H\n0.686154 0.097469 0.684522 H\n0.813846 0.597469 0.684522 H\n0.160255 0.125445 0.688735 H\n0.339745 0.625445 0.688735 H\n0.839745 0.125445 0.811265 H\n0.660255 0.625445 0.811265 H\n0.313846 0.097469 0.815478 H\n0.186154 0.597469 0.815478 H\n0.784118 0.499640 0.822024 H\n0.715882 0.999640 0.822024 H\n0.567871 0.369999 0.828467 H\n0.932129 0.869999 0.828467 H\n0.275779 0.440308 0.247663 N\n0.224221 0.940308 0.247663 N\n0.724221 0.440308 0.252337 N\n0.775779 0.940308 0.252337 N\n0.224221 0.059692 0.747663 N\n0.275779 0.559692 0.747663 N\n0.775779 0.059692 0.752337 N\n0.724221 0.559692 0.752337 N\n0.309390 0.122751 0.065568 O\n0.190610 0.622751 0.065568 O\n0.470008 0.302945 0.071436 O\n0.029992 0.802945 0.071436 O\n0.010637 0.337342 0.114638 O\n0.489363 0.837342 0.114638 O\n0.604922 0.118283 0.120913 O\n0.895078 0.618283 0.120913 O\n0.891508 0.004664 0.164407 O\n0.608492 0.504664 0.164407 O\n0.108492 0.004664 0.335593 O\n0.391508 0.504664 0.335593 O\n0.395078 0.118283 0.379087 O\n0.104922 0.618283 0.379087 O\n0.989363 0.337342 0.385362 O\n0.510637 0.837342 0.385362 O\n0.529992 0.302945 0.428564 O\n0.970008 0.802945 0.428564 O\n0.690610 0.122751 0.434432 O\n0.809390 0.622751 0.434432 O\n0.190610 0.377249 0.565568 O\n0.309390 0.877249 0.565568 O\n0.029992 0.197055 0.571436 O\n0.470008 0.697055 0.571436 O\n0.489363 0.162658 0.614638 O\n0.010637 0.662658 0.614638 O\n0.895078 0.381717 0.620913 O\n0.604922 0.881717 0.620913 O\n0.608492 0.495336 0.664407 O\n0.891508 0.995336 0.664407 O\n0.391508 0.495336 0.835593 O\n0.108492 0.995336 0.835593 O\n0.104922 0.381717 0.879087 O\n0.395078 0.881717 0.879087 O\n0.510637 0.162658 0.885362 O\n0.989363 0.662658 0.885362 O\n0.970008 0.197055 0.928564 O\n0.529992 0.697055 0.928564 O\n0.809390 0.377249 0.934432 O\n0.690610 0.877249 0.934432 O\n",
            "nsites": 92,
            "nelements": 5,
            "elements": [
                "C",
                "Cl",
                "H",
                "N",
                "O"
            ],
            "chemical_system": "C-Cl-H-N-O",
            "density": 2.2432291101910984,
            "density_atomic": 0.11136979972547958,
            "volume": 826.076730197728,
            "volume_molar": 5.407337334577457,
            "formula_full": "H32 C4 N8 Cl8 O40",
            "formula_reduced": "H8CN2(ClO5)2",
            "formula_anonymous": "AB2C2D8E10",
            "formation_energy": -0.4299307437254869,
            "spacegroup": 60
        },
        {
            "id": "oqmd-686280",
            "created_at": "2022-09-04T15:52:22.479353Z",
            "updated_at": "2022-09-04T15:52:22.479379Z",
            "structure_string": "Al2 Si8 H60 C22\n1.0\n8.725021 0.000000 0.000000\n4.222735 8.584899 0.000000\n2.543967 -0.372841 14.281422\nAl C H Si\n2 22 60 8\ndirect\n0.845345 0.727524 0.114028 Al\n0.154655 0.272476 0.885972 Al\n0.963371 0.558825 0.025596 C\n0.621539 0.875036 0.082557 C\n0.150749 0.939592 0.127924 C\n0.426835 0.482946 0.135472 C\n0.250796 0.294798 0.233711 C\n0.781676 0.108251 0.234757 C\n0.078414 0.983953 0.346143 C\n0.338246 0.503360 0.351057 C\n0.554261 0.852289 0.355786 C\n0.774412 0.503995 0.369816 C\n0.817807 0.746371 0.486999 C\n0.182193 0.253629 0.513001 C\n0.225588 0.496005 0.630184 C\n0.445739 0.147711 0.644214 C\n0.661754 0.496640 0.648943 C\n0.921586 0.016047 0.653857 C\n0.218324 0.891749 0.765243 C\n0.749204 0.705202 0.766289 C\n0.573165 0.517054 0.864528 C\n0.849251 0.060408 0.872076 C\n0.378461 0.124964 0.917443 C\n0.036629 0.441175 0.974404 C\n0.608438 0.831806 0.017004 H\n0.100999 0.918599 0.067927 H\n0.388977 0.467660 0.069723 H\n0.606583 0.994568 0.071162 H\n0.161424 0.049939 0.117158 H\n0.282021 0.845107 0.125734 H\n0.448999 0.587744 0.130223 H\n0.511729 0.882923 0.136096 H\n0.551191 0.382261 0.141591 H\n0.211028 0.282826 0.167829 H\n0.727724 0.091553 0.175521 H\n0.791037 0.219453 0.225958 H\n0.380421 0.198639 0.235423 H\n0.517903 0.831882 0.290777 H\n0.160991 0.279889 0.292050 H\n0.688989 0.118600 0.299055 H\n0.747219 0.482980 0.301903 H\n0.077130 0.099651 0.341988 H\n0.210402 0.897733 0.352467 H\n0.354384 0.610928 0.352599 H\n0.544230 0.970988 0.353909 H\n0.463402 0.404308 0.357638 H\n0.898919 0.407482 0.379575 H\n0.992016 0.982227 0.410837 H\n0.243475 0.507662 0.413038 H\n0.457519 0.848811 0.414742 H\n0.673078 0.498196 0.424761 H\n0.282261 0.253839 0.455169 H\n0.813766 0.863014 0.486133 H\n0.054920 0.336907 0.497372 H\n0.945080 0.663093 0.502628 H\n0.186234 0.136986 0.513867 H\n0.717739 0.746161 0.544831 H\n0.326922 0.501804 0.575239 H\n0.542481 0.151189 0.585258 H\n0.756525 0.492338 0.586962 H\n0.007984 0.017773 0.589163 H\n0.101081 0.592518 0.620425 H\n0.536598 0.595692 0.642362 H\n0.455770 0.029012 0.646091 H\n0.645616 0.389072 0.647401 H\n0.789598 0.102267 0.647533 H\n0.922870 0.900349 0.658012 H\n0.252781 0.517020 0.698097 H\n0.311011 0.881400 0.700945 H\n0.839009 0.720111 0.707950 H\n0.482097 0.168118 0.709223 H\n0.619579 0.801361 0.764577 H\n0.208963 0.780547 0.774042 H\n0.272276 0.908447 0.824479 H\n0.788972 0.717174 0.832171 H\n0.448809 0.617739 0.858409 H\n0.488271 0.117077 0.863904 H\n0.551001 0.412256 0.869777 H\n0.717979 0.154893 0.874266 H\n0.838576 0.950061 0.882842 H\n0.393417 0.005432 0.928838 H\n0.611023 0.532340 0.930277 H\n0.899001 0.081401 0.932073 H\n0.391562 0.168194 0.982996 H\n0.261296 0.487132 0.239685 Si\n0.002618 0.943839 0.240898 Si\n0.986827 0.705021 0.246098 Si\n0.777329 0.700591 0.371174 Si\n0.222671 0.299409 0.628826 Si\n0.013173 0.294979 0.753902 Si\n0.997382 0.056161 0.759102 Si\n0.738704 0.512868 0.760315 Si\n",
            "nsites": 92,
            "nelements": 4,
            "elements": [
                "Al",
                "C",
                "H",
                "Si"
            ],
            "chemical_system": "Al-C-H-Si",
            "density": 0.9365946680209347,
            "density_atomic": 0.08600321847737905,
            "volume": 1069.7274082155222,
            "volume_molar": 7.002227203373756,
            "formula_full": "Al2 Si8 H60 C22",
            "formula_reduced": "AlSi4H30C11",
            "formula_anonymous": "AB4C11D30",
            "formation_energy": -0.1555138157179404,
            "spacegroup": 2
        },
        {
            "id": "oqmd-16504",
            "created_at": "2022-09-04T14:49:11.143220Z",
            "updated_at": "2022-09-04T14:49:11.143251Z",
            "structure_string": "Sr4 Li8 Ti24 O56\n1.0\n8.241707 5.515749 0.000000\n-8.241707 5.515749 0.000000\n0.000000 0.000000 11.325476\nLi O Sr Ti\n8 56 4 24\ndirect\n0.427415 0.060144 0.123195 Li\n0.060144 0.427415 0.123195 Li\n0.927415 0.560144 0.376806 Li\n0.560144 0.927415 0.376806 Li\n0.439855 0.072584 0.623194 Li\n0.072584 0.439855 0.623194 Li\n0.939856 0.572585 0.876806 Li\n0.572585 0.939856 0.876806 Li\n0.866065 0.133935 0.000000 O\n0.628799 0.371202 0.000000 O\n0.371202 0.628799 0.000000 O\n0.133935 0.866065 0.000000 O\n0.853259 0.640398 0.011481 O\n0.640398 0.853259 0.011481 O\n0.580023 0.580023 0.119730 O\n0.639964 0.114727 0.121583 O\n0.114727 0.639964 0.121583 O\n0.852218 0.381616 0.128337 O\n0.381616 0.852218 0.128337 O\n0.917166 0.917166 0.134419 O\n0.858971 0.645634 0.242090 O\n0.645634 0.858971 0.242090 O\n0.625404 0.362016 0.248602 O\n0.362016 0.625404 0.248602 O\n0.862017 0.125403 0.251398 O\n0.125403 0.862017 0.251398 O\n0.358971 0.145634 0.257911 O\n0.145634 0.358971 0.257911 O\n0.417165 0.417165 0.365580 O\n0.881615 0.352219 0.371663 O\n0.352219 0.881615 0.371663 O\n0.614727 0.139965 0.378417 O\n0.139965 0.614727 0.378417 O\n0.080023 0.080023 0.380270 O\n0.353260 0.140399 0.488518 O\n0.140399 0.353260 0.488518 O\n0.871202 0.128798 0.500000 O\n0.633936 0.366064 0.500000 O\n0.366064 0.633936 0.500000 O\n0.128798 0.871202 0.500000 O\n0.859602 0.646741 0.511481 O\n0.646741 0.859602 0.511481 O\n0.919978 0.919978 0.619729 O\n0.860035 0.385273 0.621584 O\n0.385273 0.860035 0.621584 O\n0.647781 0.118385 0.628337 O\n0.118385 0.647781 0.628337 O\n0.582835 0.582835 0.634420 O\n0.854367 0.641030 0.742089 O\n0.641030 0.854367 0.742089 O\n0.874597 0.137984 0.748603 O\n0.137984 0.874597 0.748603 O\n0.637984 0.374597 0.751397 O\n0.374597 0.637984 0.751397 O\n0.354366 0.141030 0.757911 O\n0.141030 0.354366 0.757911 O\n0.082835 0.082835 0.865580 O\n0.618384 0.147782 0.871662 O\n0.147782 0.618384 0.871662 O\n0.885273 0.360036 0.878417 O\n0.360036 0.885273 0.878417 O\n0.419977 0.419977 0.880269 O\n0.359602 0.146741 0.988519 O\n0.146741 0.359602 0.988519 O\n0.350822 0.350822 0.123076 Sr\n0.850823 0.850823 0.376924 Sr\n0.149177 0.149177 0.623076 Sr\n0.649177 0.649177 0.876924 Sr\n0.743454 0.256546 0.000000 Ti\n0.256546 0.743454 0.000000 Ti\n0.988590 0.773100 0.116751 Ti\n0.773100 0.988590 0.116751 Ti\n0.732566 0.513912 0.135824 Ti\n0.513912 0.732566 0.135824 Ti\n0.740797 0.240798 0.250000 Ti\n0.240798 0.740797 0.250000 Ti\n0.232566 0.013911 0.364176 Ti\n0.013911 0.232566 0.364176 Ti\n0.488589 0.273099 0.383249 Ti\n0.273099 0.488589 0.383249 Ti\n0.756546 0.243454 0.500000 Ti\n0.243454 0.756546 0.500000 Ti\n0.726900 0.511411 0.616751 Ti\n0.511411 0.726900 0.616751 Ti\n0.986089 0.767434 0.635824 Ti\n0.767434 0.986089 0.635824 Ti\n0.759203 0.259203 0.750000 Ti\n0.259203 0.759203 0.750000 Ti\n0.486090 0.267435 0.864176 Ti\n0.267435 0.486090 0.864176 Ti\n0.226900 0.011410 0.883249 Ti\n0.011410 0.226900 0.883249 Ti\n",
            "nsites": 92,
            "nelements": 4,
            "elements": [
                "Li",
                "O",
                "Sr",
                "Ti"
            ],
            "chemical_system": "Li-O-Sr-Ti",
            "density": 3.9522619814689257,
            "density_atomic": 0.08934694382718483,
            "volume": 1029.6938659474097,
            "volume_molar": 6.740175435265079,
            "formula_full": "Sr4 Li8 Ti24 O56",
            "formula_reduced": "SrLi2Ti6O14",
            "formula_anonymous": "AB2C6D14",
            "formation_energy": -3.16333762250088,
            "spacegroup": 64
        },
        {
            "id": "oqmd-22906",
            "created_at": "2022-09-04T14:53:15.253613Z",
            "updated_at": "2022-09-04T14:53:15.253622Z",
            "structure_string": "Mg42 Zn50\n1.0\n0.000000 0.000000 8.630399\n12.724319 -7.346389 -2.876800\n0.000000 14.692778 -2.876800\nMg Zn\n42 50\ndirect\n0.141288 0.577996 0.096395 Mg\n0.455108 0.518399 0.096396 Mg\n0.681101 0.232097 0.115032 Mg\n0.933932 0.882935 0.115032 Mg\n0.566068 0.884968 0.117064 Mg\n0.050996 0.232097 0.117064 Mg\n0.275643 0.459357 0.227819 Mg\n0.452176 0.768462 0.227819 Mg\n0.047824 0.772181 0.231537 Mg\n0.683714 0.459357 0.231538 Mg\n0.181101 0.115032 0.232097 Mg\n0.550996 0.117064 0.232097 Mg\n0.057236 0.614472 0.307236 Mg\n0.750000 0.692764 0.307236 Mg\n0.442764 0.692764 0.385528 Mg\n0.563292 0.518399 0.422004 Mg\n0.358712 0.903604 0.422004 Mg\n0.775643 0.227819 0.459356 Mg\n0.183714 0.231537 0.459356 Mg\n0.936708 0.577996 0.481600 Mg\n0.044892 0.903604 0.481600 Mg\n0.063292 0.422004 0.518399 Mg\n0.955108 0.096396 0.518400 Mg\n0.816286 0.768462 0.540643 Mg\n0.224357 0.772181 0.540643 Mg\n0.641288 0.096396 0.577996 Mg\n0.436709 0.481601 0.577997 Mg\n0.557236 0.307236 0.614472 Mg\n0.250000 0.307236 0.692764 Mg\n0.942764 0.385528 0.692764 Mg\n0.449004 0.882935 0.767903 Mg\n0.818899 0.884968 0.767903 Mg\n0.952176 0.227819 0.768462 Mg\n0.316286 0.540643 0.768462 Mg\n0.724357 0.540643 0.772181 Mg\n0.547823 0.231537 0.772181 Mg\n0.949004 0.767903 0.882935 Mg\n0.433932 0.115032 0.882935 Mg\n0.066068 0.117064 0.884967 Mg\n0.318899 0.767903 0.884968 Mg\n0.858712 0.422004 0.903604 Mg\n0.544892 0.481601 0.903604 Mg\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.000000 Zn\n0.119660 0.355404 0.000402 Zn\n0.380743 0.644999 0.000403 Zn\n0.250000 0.939224 0.060776 Zn\n0.310776 0.121552 0.060776 Zn\n0.191827 0.763514 0.063830 Zn\n0.372003 0.300316 0.063830 Zn\n0.808220 0.558220 0.116440 Zn\n0.928358 0.408978 0.117177 Zn\n0.688818 0.708199 0.117177 Zn\n0.810776 0.060776 0.121552 Zn\n0.308173 0.936170 0.236486 Zn\n0.428313 0.300316 0.236486 Zn\n0.811181 0.882823 0.291801 Zn\n0.980619 0.408978 0.291801 Zn\n0.928313 0.236487 0.300316 Zn\n0.872004 0.063831 0.300317 Zn\n0.119257 0.999597 0.355001 Zn\n0.735744 0.355404 0.355001 Zn\n0.619660 0.000403 0.355404 Zn\n0.235744 0.355001 0.355404 Zn\n0.480620 0.291801 0.408978 Zn\n0.428358 0.117177 0.408978 Zn\n0.250000 0.558220 0.441780 Zn\n0.691780 0.883560 0.441780 Zn\n0.308220 0.116440 0.558220 Zn\n0.750000 0.441780 0.558220 Zn\n0.571642 0.882823 0.591022 Zn\n0.519380 0.708199 0.591022 Zn\n0.764256 0.644999 0.644596 Zn\n0.380340 0.999597 0.644596 Zn\n0.264256 0.644596 0.644999 Zn\n0.880743 0.000403 0.644999 Zn\n0.071687 0.763514 0.699683 Zn\n0.127997 0.936170 0.699684 Zn\n0.019381 0.591022 0.708199 Zn\n0.188819 0.117177 0.708199 Zn\n0.691827 0.063831 0.763513 Zn\n0.571687 0.699684 0.763514 Zn\n0.189224 0.939224 0.878448 Zn\n0.071642 0.591022 0.882823 Zn\n0.311181 0.291801 0.882823 Zn\n0.191780 0.441780 0.883560 Zn\n0.808173 0.236487 0.936170 Zn\n0.627997 0.699684 0.936170 Zn\n0.689224 0.878448 0.939224 Zn\n0.750000 0.060776 0.939224 Zn\n0.880340 0.644596 0.999597 Zn\n0.619257 0.355001 0.999597 Zn\n",
            "nsites": 92,
            "nelements": 2,
            "elements": [
                "Mg",
                "Zn"
            ],
            "chemical_system": "Mg-Zn",
            "density": 4.416361207107476,
            "density_atomic": 0.05701885445711532,
            "volume": 1613.501373816524,
            "volume_molar": 10.561665640844007,
            "formula_full": "Mg42 Zn50",
            "formula_reduced": "Mg21Zn25",
            "formula_anonymous": "A21B25",
            "formation_energy": -0.121252205054349,
            "spacegroup": 167
        },
        {
            "id": "oqmd-689521",
            "created_at": "2022-09-04T15:52:20.174007Z",
            "updated_at": "2022-09-04T15:52:20.174038Z",
            "structure_string": "Li4 P14 H54 N18\n1.0\n9.033457 0.000000 0.000000\n-4.393668 8.140998 0.000000\n-0.367414 -2.610106 12.858474\nH Li N P\n54 4 18 14\ndirect\n0.233940 0.879075 0.007798 H\n0.870474 0.734563 0.013785 H\n0.330638 0.690005 0.024592 H\n0.573674 0.400631 0.039474 H\n0.413983 0.026806 0.076648 H\n0.375637 0.564008 0.077248 H\n0.961539 0.490089 0.079429 H\n0.242159 0.036937 0.093916 H\n0.800846 0.680063 0.124381 H\n0.954046 0.873702 0.125653 H\n0.988741 0.350849 0.127268 H\n0.814943 0.364634 0.141543 H\n0.140030 0.728990 0.172106 H\n0.298131 0.730972 0.238655 H\n0.637626 0.050314 0.242869 H\n0.284236 0.904095 0.245171 H\n0.816758 0.042537 0.254036 H\n0.636711 0.883223 0.272743 H\n0.014668 0.396194 0.312665 H\n0.805967 0.721587 0.338390 H\n0.963976 0.916322 0.361360 H\n0.860591 0.408638 0.370608 H\n0.767829 0.106005 0.434354 H\n0.035160 0.440465 0.437436 H\n0.884508 0.819981 0.457794 H\n0.657799 0.197765 0.474380 H\n0.357869 0.964432 0.477651 H\n0.642131 0.035569 0.522349 H\n0.342201 0.802234 0.525620 H\n0.115492 0.180019 0.542206 H\n0.964840 0.559535 0.562564 H\n0.232171 0.893994 0.565646 H\n0.139409 0.591361 0.629391 H\n0.036024 0.083679 0.638640 H\n0.194032 0.278413 0.661609 H\n0.985331 0.603804 0.687335 H\n0.363289 0.116776 0.727258 H\n0.183242 0.957463 0.745965 H\n0.715764 0.095906 0.754828 H\n0.362374 0.949687 0.757131 H\n0.701868 0.269027 0.761345 H\n0.859970 0.271010 0.827895 H\n0.185058 0.635365 0.858457 H\n0.011259 0.649151 0.872731 H\n0.045955 0.126299 0.874346 H\n0.199154 0.319938 0.875619 H\n0.757842 0.963062 0.906084 H\n0.038462 0.509911 0.920571 H\n0.624362 0.435991 0.922752 H\n0.586018 0.973193 0.923352 H\n0.426326 0.599369 0.960525 H\n0.669362 0.309994 0.975408 H\n0.129526 0.265437 0.986215 H\n0.766061 0.120925 0.992201 H\n0.662406 0.853723 0.076287 Li\n0.093247 0.718315 0.373994 Li\n0.906752 0.281685 0.626005 Li\n0.337594 0.146278 0.923713 Li\n0.422514 0.656367 0.033940 N\n0.304318 0.006138 0.036681 N\n0.843470 0.776134 0.084166 N\n0.898960 0.368437 0.089342 N\n0.689348 0.971861 0.227384 N\n0.214588 0.777057 0.242225 N\n0.990934 0.464969 0.373105 N\n0.918306 0.803278 0.384632 N\n0.725213 0.143811 0.499355 N\n0.274787 0.856188 0.500644 N\n0.081694 0.196721 0.615368 N\n0.009066 0.535031 0.626894 N\n0.785412 0.222943 0.757776 N\n0.310654 0.028140 0.772617 N\n0.101040 0.631563 0.910658 N\n0.156529 0.223865 0.915834 N\n0.695681 0.993860 0.963320 N\n0.577485 0.343632 0.966059 N\n0.273515 0.376722 0.200968 P\n0.549063 0.443329 0.226150 P\n0.135284 0.154811 0.262481 P\n0.552302 0.257900 0.301122 P\n0.447552 0.584435 0.332480 P\n0.330987 0.197516 0.381874 P\n0.369490 0.446351 0.459553 P\n0.630508 0.553648 0.540446 P\n0.669013 0.802483 0.618125 P\n0.552449 0.415565 0.667520 P\n0.447698 0.742100 0.698878 P\n0.864716 0.845189 0.737519 P\n0.450937 0.556672 0.773850 P\n0.726486 0.623278 0.799033 P\n",
            "nsites": 90,
            "nelements": 4,
            "elements": [
                "H",
                "Li",
                "N",
                "P"
            ],
            "chemical_system": "H-Li-N-P",
            "density": 1.3485241711016822,
            "density_atomic": 0.09517468513423691,
            "volume": 945.6296059510111,
            "volume_molar": 6.327460659844803,
            "formula_full": "Li4 P14 H54 N18",
            "formula_reduced": "Li2P7(H3N)9",
            "formula_anonymous": "A2B7C9D27",
            "formation_energy": -0.4304788104396405,
            "spacegroup": 2
        },
        {
            "id": "oqmd-688208",
            "created_at": "2022-09-04T15:52:02.066085Z",
            "updated_at": "2022-09-04T15:52:02.066110Z",
            "structure_string": "Ni2 P4 H48 C8 O28\n1.0\n11.810969 0.000000 0.000000\n0.000000 7.012328 0.000000\n-3.602572 0.000000 8.545718\nC H Ni O P\n8 48 2 28 4\ndirect\n0.639829 0.194756 0.016981 C\n0.422940 0.258960 0.183998 C\n0.577060 0.758960 0.316002 C\n0.360171 0.694756 0.483019 C\n0.639829 0.305244 0.516981 C\n0.422940 0.241040 0.683998 C\n0.577060 0.741040 0.816002 C\n0.360171 0.805244 0.983019 C\n0.451190 0.868823 0.012426 H\n0.369437 0.654495 0.015878 H\n0.915623 0.660683 0.032140 H\n0.309560 0.881100 0.042591 H\n0.891306 0.297671 0.043896 H\n0.365017 0.220083 0.063303 H\n0.872372 0.819457 0.121099 H\n0.519241 0.265133 0.199966 H\n0.970916 0.216786 0.218298 H\n0.587939 0.654730 0.234057 H\n0.207333 0.890290 0.239088 H\n0.199430 0.121189 0.248408 H\n0.800570 0.621189 0.251592 H\n0.792667 0.390290 0.260912 H\n0.412061 0.154730 0.265943 H\n0.029084 0.716786 0.281702 H\n0.480759 0.765133 0.300034 H\n0.127628 0.319457 0.378901 H\n0.634983 0.720083 0.436697 H\n0.108694 0.797671 0.456104 H\n0.690440 0.381100 0.457409 H\n0.084377 0.160683 0.467860 H\n0.630563 0.154495 0.484122 H\n0.548810 0.368823 0.487574 H\n0.451190 0.631177 0.512426 H\n0.369437 0.845505 0.515878 H\n0.915623 0.839317 0.532140 H\n0.309560 0.618900 0.542591 H\n0.891306 0.202329 0.543896 H\n0.365017 0.279917 0.563303 H\n0.872372 0.680543 0.621099 H\n0.519241 0.234867 0.699966 H\n0.970916 0.283214 0.718298 H\n0.587939 0.845270 0.734057 H\n0.207333 0.609710 0.739088 H\n0.199430 0.378811 0.748408 H\n0.800570 0.878811 0.751592 H\n0.792667 0.109710 0.760912 H\n0.412061 0.345270 0.765943 H\n0.029084 0.783214 0.781702 H\n0.480759 0.734867 0.800034 H\n0.127628 0.180543 0.878901 H\n0.634983 0.779917 0.936697 H\n0.108694 0.702329 0.956104 H\n0.690440 0.118900 0.957409 H\n0.084377 0.339317 0.967860 H\n0.630563 0.345505 0.984122 H\n0.548810 0.131177 0.987574 H\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.161952 0.517740 0.071113 O\n0.946572 0.776218 0.100855 O\n0.924317 0.179633 0.106353 O\n0.757622 0.832617 0.167897 O\n0.168606 0.006416 0.181441 O\n0.708928 0.188549 0.184379 O\n0.392564 0.447958 0.219038 O\n0.607436 0.947958 0.280962 O\n0.291072 0.688549 0.315621 O\n0.831394 0.506416 0.318559 O\n0.242378 0.332617 0.332103 O\n0.075683 0.679633 0.393647 O\n0.053428 0.276218 0.399145 O\n0.838048 0.017740 0.428887 O\n0.161952 0.982260 0.571113 O\n0.946572 0.723782 0.600855 O\n0.924317 0.320367 0.606353 O\n0.757622 0.667383 0.667897 O\n0.168606 0.493584 0.681441 O\n0.708928 0.311451 0.684379 O\n0.392564 0.052042 0.719038 O\n0.607436 0.552042 0.780962 O\n0.291072 0.811451 0.815621 O\n0.831394 0.993584 0.818559 O\n0.242378 0.167383 0.832103 O\n0.075683 0.820367 0.893647 O\n0.053428 0.223782 0.899145 O\n0.838048 0.482260 0.928887 O\n0.262508 0.485357 0.229442 P\n0.737492 0.985357 0.270558 P\n0.262508 0.014643 0.729442 P\n0.737492 0.514643 0.770558 P\n",
            "nsites": 90,
            "nelements": 5,
            "elements": [
                "C",
                "H",
                "Ni",
                "O",
                "P"
            ],
            "chemical_system": "C-H-Ni-O-P",
            "density": 1.9560463358864637,
            "density_atomic": 0.12715873547804127,
            "volume": 707.7767772827679,
            "volume_molar": 4.735923754951109,
            "formula_full": "Ni2 P4 H48 C8 O28",
            "formula_reduced": "NiP2H24(C2O7)2",
            "formula_anonymous": "AB2C4D14E24",
            "formation_energy": -1.0621774066462302,
            "spacegroup": 14
        }
    ]
}