GET /third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=10159
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=-formula_anonymous&page=10160",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=10158",
    "results": [
        {
            "id": "mp-1182626",
            "created_at": "2022-09-04T14:45:01.460766Z",
            "structure_string": "Fe12 P8 H34 O54\n1.0\n2.593087 10.714210 0.000000\n-2.593087 10.714210 0.000000\n0.000000 1.398116 19.351322\nFe P H O\n12 8 34 54\ndirect\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.227458 0.684868 0.172872 Fe\n0.315132 0.772542 0.327128 Fe\n0.772542 0.315132 0.827128 Fe\n0.684868 0.227458 0.672872 Fe\n0.928412 0.853115 0.420146 Fe\n0.146885 0.071588 0.079854 Fe\n0.071588 0.146885 0.579854 Fe\n0.853115 0.928412 0.920146 Fe\n0.366690 0.420939 0.027058 P\n0.579061 0.633310 0.472942 P\n0.633310 0.579061 0.972942 P\n0.420939 0.366690 0.527058 P\n0.637067 0.546980 0.179530 P\n0.453020 0.362933 0.320470 P\n0.362933 0.453020 0.820470 P\n0.546980 0.637067 0.679530 P\n0.841806 0.148240 0.373101 H\n0.851760 0.158194 0.126899 H\n0.158194 0.851760 0.626899 H\n0.148240 0.841806 0.873101 H\n0.997550 0.611818 0.497759 H\n0.388182 0.002450 0.002241 H\n0.002450 0.388182 0.502241 H\n0.611818 0.997550 0.997759 H\n0.919825 0.080175 0.250000 H\n0.080175 0.919825 0.750000 H\n0.908725 0.305240 0.308441 H\n0.694760 0.091275 0.191559 H\n0.091275 0.694760 0.691559 H\n0.305240 0.908725 0.808441 H\n0.133028 0.122247 0.254547 H\n0.877753 0.866972 0.245453 H\n0.866972 0.877753 0.745453 H\n0.122247 0.133028 0.754547 H\n0.965165 0.550285 0.139544 H\n0.449715 0.034835 0.360456 H\n0.034835 0.449715 0.860456 H\n0.550285 0.965165 0.639544 H\n0.701246 0.719238 0.115428 H\n0.280762 0.298754 0.384572 H\n0.298754 0.280762 0.884572 H\n0.719238 0.701246 0.615428 H\n0.246605 0.388429 0.226293 H\n0.611571 0.753395 0.273707 H\n0.753395 0.611571 0.773707 H\n0.388429 0.246605 0.726293 H\n0.323157 0.183597 0.234666 H\n0.816403 0.676843 0.265334 H\n0.676843 0.816403 0.765334 H\n0.183597 0.323157 0.734666 H\n0.304428 0.339861 0.021766 O\n0.660139 0.695572 0.478234 O\n0.695572 0.660139 0.978234 O\n0.339861 0.304428 0.521766 O\n0.828971 0.325770 0.018421 O\n0.674230 0.171029 0.481579 O\n0.171029 0.674230 0.981579 O\n0.325770 0.828971 0.518421 O\n0.810600 0.344920 0.501279 O\n0.655080 0.189400 0.998721 O\n0.189400 0.655080 0.498721 O\n0.344920 0.810600 0.001279 O\n0.349906 0.471072 0.101988 O\n0.528928 0.650094 0.398012 O\n0.650094 0.528928 0.898012 O\n0.471072 0.349906 0.601988 O\n0.569460 0.473821 0.165522 O\n0.526179 0.430540 0.334478 O\n0.430540 0.526179 0.834478 O\n0.473821 0.569460 0.665522 O\n0.388815 0.411889 0.242540 O\n0.588111 0.611185 0.257460 O\n0.611185 0.588111 0.757460 O\n0.411889 0.388815 0.742540 O\n0.935629 0.304542 0.162475 O\n0.695458 0.064371 0.337525 O\n0.064371 0.695458 0.837525 O\n0.304542 0.935629 0.662475 O\n0.213268 0.527035 0.365147 O\n0.472965 0.786732 0.134853 O\n0.786732 0.472965 0.634853 O\n0.527035 0.213268 0.865147 O\n0.019297 0.968366 0.392356 O\n0.031634 0.980703 0.107644 O\n0.980703 0.031634 0.607644 O\n0.968366 0.019297 0.892356 O\n0.841918 0.772250 0.468517 O\n0.227750 0.158082 0.031483 O\n0.158082 0.227750 0.531483 O\n0.772250 0.841918 0.968517 O\n0.108049 0.891951 0.250000 O\n0.891951 0.108049 0.750000 O\n0.104780 0.127411 0.304573 O\n0.872589 0.895220 0.195427 O\n0.895220 0.872589 0.695427 O\n0.127411 0.104780 0.804573 O\n0.842339 0.652774 0.100470 O\n0.347226 0.157661 0.399530 O\n0.157661 0.347226 0.899530 O\n0.652774 0.842339 0.600470 O\n0.627442 0.828143 0.276941 O\n0.171857 0.372558 0.223059 O\n0.372558 0.171857 0.723059 O\n0.828143 0.627442 0.776941 O\n",
            "nsites": 108,
            "nelements": 4,
            "elements": [
                "Fe",
                "P",
                "H",
                "O"
            ],
            "chemical_system": "Fe-H-O-P",
            "density": 2.8047047957647573,
            "density_atomic": 0.10043980896813033,
            "volume": 1075.2708623158426,
            "volume_molar": 5.995770822215355,
            "formula_full": "Fe12 P8 H34 O54",
            "formula_reduced": "Fe6P4H17O27",
            "formula_anonymous": "A4B6C17D27",
            "energy": -719.3147981999999,
            "energy_per_atom": -6.660322205555555,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -655.1447982,
            "band_gap": 1.7833,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 57.9999817,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:50.832000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-744374",
            "created_at": "2022-09-04T14:44:54.929741Z",
            "structure_string": "Fe12 P8 H34 O54\n1.0\n2.606340 10.511048 0.000000\n-2.606340 10.511048 0.000000\n0.000000 0.825455 19.540646\nFe P H O\n12 8 34 54\ndirect\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.231340 0.677633 0.173610 Fe\n0.322367 0.768660 0.326390 Fe\n0.768660 0.322367 0.826390 Fe\n0.677633 0.231340 0.673610 Fe\n0.929809 0.856535 0.416724 Fe\n0.143465 0.070191 0.083276 Fe\n0.070191 0.143465 0.583276 Fe\n0.856535 0.929809 0.916724 Fe\n0.369398 0.421018 0.024959 P\n0.578982 0.630602 0.475041 P\n0.630602 0.578982 0.975041 P\n0.421018 0.369398 0.524959 P\n0.640564 0.545069 0.180478 P\n0.454931 0.359436 0.319522 P\n0.359436 0.454931 0.819522 P\n0.545069 0.640564 0.680478 P\n0.995669 0.613524 0.488211 H\n0.386476 0.004331 0.011789 H\n0.004331 0.386476 0.511789 H\n0.613524 0.995669 0.988211 H\n0.858008 0.137188 0.373889 H\n0.862812 0.141992 0.126111 H\n0.141992 0.862812 0.626111 H\n0.137188 0.858008 0.873889 H\n0.942043 0.576288 0.249715 H\n0.423712 0.057957 0.250285 H\n0.057957 0.423712 0.750285 H\n0.576288 0.942043 0.749715 H\n0.191873 0.438249 0.233376 H\n0.561751 0.808127 0.266624 H\n0.808127 0.561751 0.766624 H\n0.438249 0.191873 0.733376 H\n0.706686 0.721869 0.113104 H\n0.278131 0.293314 0.386896 H\n0.293314 0.278131 0.886896 H\n0.721869 0.706686 0.613104 H\n0.972177 0.543255 0.140833 H\n0.456745 0.027823 0.359167 H\n0.027823 0.456745 0.859167 H\n0.543255 0.972177 0.640833 H\n0.693650 0.083371 0.201260 H\n0.916629 0.306350 0.298740 H\n0.306350 0.916629 0.798740 H\n0.083371 0.693650 0.701260 H\n0.824169 0.878825 0.147151 H\n0.121175 0.175831 0.352849 H\n0.175831 0.121175 0.852849 H\n0.878825 0.824169 0.647151 H\n0.922984 0.077016 0.250000 H\n0.077016 0.922984 0.750000 H\n0.310306 0.334997 0.013391 O\n0.665003 0.689694 0.486609 O\n0.689694 0.665003 0.986609 O\n0.334997 0.310306 0.513391 O\n0.821262 0.327782 0.018921 O\n0.672218 0.178738 0.481079 O\n0.178738 0.672218 0.981079 O\n0.327782 0.821262 0.518921 O\n0.809661 0.341774 0.499738 O\n0.658226 0.190339 0.000262 O\n0.190339 0.658226 0.500262 O\n0.341774 0.809661 0.999738 O\n0.338427 0.474190 0.101002 O\n0.525810 0.661573 0.398998 O\n0.661573 0.525810 0.898998 O\n0.474190 0.338427 0.601002 O\n0.573158 0.467336 0.167564 O\n0.532664 0.426842 0.332436 O\n0.426842 0.532664 0.832436 O\n0.467336 0.573158 0.667564 O\n0.396900 0.397792 0.241623 O\n0.602208 0.603100 0.258377 O\n0.603100 0.602208 0.758377 O\n0.397792 0.396900 0.741623 O\n0.933547 0.310108 0.161504 O\n0.689892 0.066453 0.338496 O\n0.066453 0.689892 0.838496 O\n0.310108 0.933547 0.661504 O\n0.213064 0.528625 0.363195 O\n0.471375 0.786936 0.136805 O\n0.786936 0.471375 0.636805 O\n0.528625 0.213064 0.863195 O\n0.030751 0.954070 0.391801 O\n0.045930 0.969249 0.108199 O\n0.969249 0.045930 0.608199 O\n0.954070 0.030751 0.891801 O\n0.831984 0.783680 0.463744 O\n0.216320 0.168016 0.036256 O\n0.168016 0.216320 0.536256 O\n0.783680 0.831984 0.963744 O\n0.110914 0.889086 0.250000 O\n0.889086 0.110914 0.750000 O\n0.094812 0.135874 0.319785 O\n0.864126 0.905188 0.180215 O\n0.905188 0.864126 0.680215 O\n0.135874 0.094812 0.819785 O\n0.843955 0.663718 0.102022 O\n0.336282 0.156045 0.397978 O\n0.156045 0.336282 0.897978 O\n0.663718 0.843955 0.602022 O\n0.116296 0.422574 0.225834 O\n0.577426 0.883704 0.274166 O\n0.883704 0.577426 0.774166 O\n0.422574 0.116296 0.725834 O\n",
            "nsites": 108,
            "nelements": 4,
            "elements": [
                "Fe",
                "P",
                "H",
                "O"
            ],
            "chemical_system": "Fe-H-O-P",
            "density": 2.8168195947423156,
            "density_atomic": 0.1008736543043064,
            "volume": 1070.6462529274045,
            "volume_molar": 5.969983740088326,
            "formula_full": "Fe12 P8 H34 O54",
            "formula_reduced": "Fe6P4H17O27",
            "formula_anonymous": "A4B6C17D27",
            "energy": -719.4781507099999,
            "energy_per_atom": -6.661834728796295,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -655.30815071,
            "band_gap": 1.5183000000000002,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 57.9998599,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:47.539000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-680697",
            "created_at": "2022-09-04T14:40:13.095850Z",
            "structure_string": "Ce12 Si8 S34\n1.0\n9.011008 0.000000 0.000000\n0.133102 10.064775 0.000000\n0.784418 1.918410 14.185650\nCe Si S\n12 8 34\ndirect\n0.170509 0.088545 0.658035 Ce\n0.520364 0.268346 0.458477 Ce\n0.606044 0.884703 0.817219 Ce\n0.130250 0.430555 0.325506 Ce\n0.417883 0.421042 0.833388 Ce\n0.948596 0.238772 0.000574 Ce\n0.393956 0.115297 0.182781 Ce\n0.479636 0.731654 0.541523 Ce\n0.869750 0.569445 0.674494 Ce\n0.829491 0.911455 0.341965 Ce\n0.051404 0.761228 0.999426 Ce\n0.582117 0.578958 0.166612 Ce\n0.773746 0.558469 0.394264 Si\n0.752361 0.559415 0.922849 Si\n0.250981 0.999117 0.415269 Si\n0.730834 0.937877 0.099143 Si\n0.269166 0.062123 0.900857 Si\n0.226254 0.441531 0.605736 Si\n0.247639 0.440585 0.077151 Si\n0.749019 0.000883 0.584731 Si\n0.746487 0.113394 0.167389 S\n0.132654 0.216662 0.832680 S\n0.203179 0.589625 0.695490 S\n0.571282 0.645970 0.721157 S\n0.018182 0.347176 0.602877 S\n0.317105 0.518687 0.466591 S\n0.394190 0.299412 0.653704 S\n0.854648 0.028551 0.707333 S\n0.457842 0.352762 0.049007 S\n0.605810 0.700588 0.346296 S\n0.884012 0.711218 0.838455 S\n0.491036 0.127545 0.885909 S\n0.242321 0.613381 0.150050 S\n0.757679 0.386619 0.849950 S\n0.839083 0.501630 0.056797 S\n0.508964 0.872455 0.114091 S\n0.191571 0.866207 0.536825 S\n0.115988 0.288782 0.161545 S\n0.821638 0.981286 0.956883 S\n0.515256 0.994282 0.623103 S\n0.867346 0.783338 0.167320 S\n0.160917 0.498370 0.943203 S\n0.542158 0.647238 0.950993 S\n0.682895 0.481313 0.533409 S\n0.178362 0.018714 0.043117 S\n0.808429 0.133793 0.463175 S\n0.484744 0.005718 0.376897 S\n0.793324 0.808944 0.540216 S\n0.253513 0.886606 0.832611 S\n0.428718 0.354030 0.278843 S\n0.145352 0.971449 0.292667 S\n0.206676 0.191056 0.459784 S\n0.981818 0.652824 0.397123 S\n0.796821 0.410375 0.304510 S\n",
            "nsites": 54,
            "nelements": 3,
            "elements": [
                "Ce",
                "Si",
                "S"
            ],
            "chemical_system": "Ce-S-Si",
            "density": 3.8672805268817765,
            "density_atomic": 0.04197271608131582,
            "volume": 1286.55005064202,
            "volume_molar": 14.347750925465508,
            "formula_full": "Ce12 Si8 S34",
            "formula_reduced": "Ce6Si4S17",
            "formula_anonymous": "A4B6C17",
            "energy": -351.92069444,
            "energy_per_atom": -6.517049897037037,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -334.81869444,
            "band_gap": 0.5558999999999994,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0192096,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:53.631000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-28216",
            "created_at": "2022-09-04T14:43:11.543634Z",
            "structure_string": "Lu12 Ge8 O34\n1.0\n6.897790 0.000000 0.000000\n0.000000 10.556210 0.000000\n0.000000 4.032866 10.191067\nLu Ge O\n12 8 34\ndirect\n0.745755 0.474284 0.951830 Lu\n0.745755 0.025716 0.048170 Lu\n0.254245 0.525716 0.048170 Lu\n0.254245 0.974284 0.951830 Lu\n0.404800 0.305401 0.831233 Lu\n0.404800 0.194599 0.168767 Lu\n0.595200 0.694599 0.168767 Lu\n0.595200 0.805401 0.831233 Lu\n0.838870 0.427572 0.426921 Lu\n0.838870 0.072428 0.573079 Lu\n0.161130 0.572428 0.573079 Lu\n0.161130 0.927572 0.426921 Lu\n0.638489 0.602446 0.618165 Ge\n0.638489 0.897554 0.381835 Ge\n0.361511 0.397554 0.381835 Ge\n0.361511 0.102446 0.618165 Ge\n0.923109 0.269722 0.775824 Ge\n0.923109 0.230278 0.224176 Ge\n0.076891 0.730278 0.224176 Ge\n0.076891 0.769722 0.775824 Ge\n0.420863 0.387380 0.985233 O\n0.420863 0.112620 0.014767 O\n0.579137 0.612620 0.014767 O\n0.579137 0.887380 0.985233 O\n0.673440 0.636376 0.762161 O\n0.673440 0.863624 0.237839 O\n0.326560 0.363624 0.237839 O\n0.326560 0.136376 0.762161 O\n0.976467 0.389960 0.099550 O\n0.976467 0.110040 0.900450 O\n0.023533 0.610040 0.900450 O\n0.023533 0.889960 0.099550 O\n0.722041 0.326328 0.845507 O\n0.722041 0.173672 0.154493 O\n0.277959 0.673672 0.154493 O\n0.277959 0.826328 0.845507 O\n0.529463 0.750000 0.500000 O\n0.470537 0.250000 0.500000 O\n0.143683 0.750915 0.627115 O\n0.143683 0.749085 0.372885 O\n0.845264 0.950075 0.444399 O\n0.845264 0.549925 0.555601 O\n0.154736 0.049925 0.555601 O\n0.154736 0.450075 0.444399 O\n0.886349 0.887047 0.756352 O\n0.886349 0.612953 0.243648 O\n0.113651 0.112953 0.243648 O\n0.113651 0.387047 0.756352 O\n0.554821 0.986382 0.647176 O\n0.554821 0.513618 0.352824 O\n0.445179 0.013618 0.352824 O\n0.445179 0.486382 0.647176 O\n0.856317 0.250915 0.627115 O\n0.856317 0.249085 0.372885 O\n",
            "nsites": 54,
            "nelements": 3,
            "elements": [
                "Lu",
                "Ge",
                "O"
            ],
            "chemical_system": "Ge-Lu-O",
            "density": 7.216078573985443,
            "density_atomic": 0.07277062641757244,
            "volume": 742.0576496090218,
            "volume_molar": 8.2755104036672,
            "formula_full": "Lu12 Ge8 O34",
            "formula_reduced": "Lu6Ge4O17",
            "formula_anonymous": "A4B6C17",
            "energy": -437.24461658,
            "energy_per_atom": -8.09712252925926,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -413.88661658,
            "band_gap": 4.1598,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 3.33e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:16.350000Z",
            "spacegroup": 13
        },
        {
            "id": "mp-555407",
            "created_at": "2022-09-04T14:47:56.221922Z",
            "structure_string": "Nd12 Si8 S34\n1.0\n8.995973 0.000000 0.000000\n0.136140 10.010994 0.000000\n0.749732 1.977983 14.146347\nNd Si S\n12 8 34\ndirect\n0.631823 0.935806 0.323577 Nd\n0.368177 0.064194 0.676423 Nd\n0.551268 0.261749 0.998522 Nd\n0.915401 0.919381 0.834367 Nd\n0.448732 0.738251 0.001478 Nd\n0.983126 0.231369 0.539526 Nd\n0.893551 0.615366 0.184178 Nd\n0.667364 0.589708 0.657638 Nd\n0.016874 0.768631 0.460474 Nd\n0.106449 0.384634 0.815822 Nd\n0.084599 0.080619 0.165633 Nd\n0.332636 0.410292 0.342362 Nd\n0.276086 0.058006 0.393927 Si\n0.769004 0.561853 0.900921 Si\n0.723914 0.941994 0.606073 Si\n0.249273 0.499557 0.583742 Si\n0.750727 0.500443 0.416258 Si\n0.250213 0.059938 0.922775 Si\n0.230996 0.438147 0.099079 Si\n0.749787 0.940062 0.077225 Si\n0.355334 0.530270 0.706810 S\n0.107707 0.201862 0.344921 S\n0.304017 0.911762 0.301655 S\n0.382337 0.213077 0.838579 S\n0.040212 0.148812 0.952073 S\n0.644666 0.469730 0.293190 S\n0.321681 0.481850 0.956518 S\n0.892293 0.798138 0.655079 S\n0.297595 0.306627 0.540772 S\n0.659305 0.999186 0.943015 S\n0.305083 0.633180 0.460233 S\n0.991143 0.627171 0.884590 S\n0.742730 0.115554 0.148829 S\n0.985369 0.508850 0.376781 S\n0.751771 0.385920 0.832232 S\n0.695983 0.088238 0.698345 S\n0.815722 0.019312 0.467841 S\n0.702405 0.693373 0.459228 S\n0.067330 0.142573 0.721770 S\n0.184278 0.980688 0.532159 S\n0.617663 0.786923 0.161421 S\n0.008857 0.372829 0.115410 S\n0.340695 0.000814 0.056985 S\n0.257270 0.884446 0.851171 S\n0.367710 0.281538 0.166505 S\n0.248229 0.614080 0.167768 S\n0.959788 0.851188 0.047927 S\n0.484233 0.153833 0.396559 S\n0.694917 0.366820 0.539767 S\n0.515767 0.846167 0.603441 S\n0.014631 0.491150 0.623219 S\n0.632290 0.718462 0.833495 S\n0.678319 0.518150 0.043482 S\n0.932670 0.857427 0.278230 S\n",
            "nsites": 54,
            "nelements": 3,
            "elements": [
                "Nd",
                "Si",
                "S"
            ],
            "chemical_system": "Nd-S-Si",
            "density": 3.9699089235823672,
            "density_atomic": 0.042386163459447034,
            "volume": 1274.000654757643,
            "volume_molar": 14.207798650523499,
            "formula_full": "Nd12 Si8 S34",
            "formula_reduced": "Nd6Si4S17",
            "formula_anonymous": "A4B6C17",
            "energy": -337.21221834,
            "energy_per_atom": -6.24467071,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -320.11021834,
            "band_gap": 2.4149000000000003,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0035509,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:20.129000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-686003",
            "created_at": "2022-09-04T14:41:45.251654Z",
            "structure_string": "Ce4 Y6 O17\n1.0\n3.281468 0.000000 1.894556\n1.093823 3.093797 1.894556\n-0.568631 -0.402083 38.876018\nCe Y O\n4 6 17\ndirect\n0.006357 0.006357 0.698093 Ce\n0.006603 0.006603 0.798019 Ce\n0.006858 0.006858 0.597943 Ce\n0.007529 0.007529 0.897741 Ce\n0.008070 0.008070 0.997579 Y\n0.988561 0.988561 0.103432 Y\n0.010329 0.010329 0.196901 Y\n0.010454 0.010454 0.396864 Y\n0.989835 0.989835 0.503049 Y\n0.989337 0.989337 0.303199 Y\n0.248522 0.248522 0.125443 O\n0.783354 0.783354 0.064994 O\n0.249229 0.249229 0.325231 O\n0.717019 0.717019 0.184894 O\n0.784676 0.784676 0.264597 O\n0.247689 0.247689 0.525693 O\n0.717172 0.717172 0.384848 O\n0.246571 0.246571 0.626029 O\n0.784573 0.784573 0.464628 O\n0.246535 0.246535 0.726039 O\n0.748196 0.748196 0.575541 O\n0.246434 0.246434 0.826070 O\n0.747729 0.747729 0.675681 O\n0.249126 0.249126 0.925262 O\n0.747985 0.747985 0.775605 O\n0.749378 0.749378 0.875187 O\n0.711879 0.711879 0.986436 O\n",
            "nsites": 27,
            "nelements": 3,
            "elements": [
                "Ce",
                "Y",
                "O"
            ],
            "chemical_system": "Ce-O-Y",
            "density": 5.674870866689558,
            "density_atomic": 0.06755465407747446,
            "volume": 399.676386012358,
            "volume_molar": 8.914472055609316,
            "formula_full": "Ce4 Y6 O17",
            "formula_reduced": "Ce4Y6O17",
            "formula_anonymous": "A4B6C17",
            "energy": -251.03751531,
            "energy_per_atom": -9.297685752222222,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -239.35851531000003,
            "band_gap": 0.9616000000000002,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:26.079000Z",
            "spacegroup": 160
        },
        {
            "id": "mp-559955",
            "created_at": "2022-09-04T14:46:15.016576Z",
            "structure_string": "Pr12 Si8 S34\n1.0\n9.041087 0.000000 0.000000\n0.120305 10.074747 0.000000\n0.781739 1.994073 14.220365\nPr Si S\n12 8 34\ndirect\n0.668215 0.588831 0.657760 Pr\n0.106560 0.385029 0.816543 Pr\n0.551824 0.261472 0.998774 Pr\n0.630027 0.934018 0.324626 Pr\n0.893440 0.614971 0.183457 Pr\n0.981292 0.230825 0.540489 Pr\n0.083626 0.080103 0.165678 Pr\n0.916374 0.919897 0.834322 Pr\n0.369973 0.065982 0.675374 Pr\n0.448176 0.738528 0.001226 Pr\n0.331785 0.411169 0.342240 Pr\n0.018708 0.769175 0.459511 Pr\n0.769329 0.562432 0.901176 Si\n0.751005 0.500606 0.416220 Si\n0.725278 0.941379 0.605639 Si\n0.250926 0.060082 0.922782 Si\n0.749074 0.939918 0.077218 Si\n0.274722 0.058621 0.394361 Si\n0.248995 0.499394 0.583780 Si\n0.230671 0.437568 0.098824 Si\n0.742052 0.114117 0.148682 S\n0.340411 0.001435 0.056443 S\n0.990499 0.627773 0.885502 S\n0.703278 0.692157 0.459341 S\n0.300145 0.911635 0.303445 S\n0.699855 0.088365 0.696555 S\n0.247124 0.612904 0.166992 S\n0.015302 0.492020 0.623238 S\n0.306041 0.632827 0.461296 S\n0.815306 0.018581 0.467763 S\n0.644793 0.470816 0.293841 S\n0.107451 0.201303 0.345564 S\n0.041382 0.147494 0.951784 S\n0.257948 0.885883 0.851318 S\n0.930777 0.856684 0.277874 S\n0.383057 0.212457 0.839125 S\n0.958618 0.852506 0.048216 S\n0.633430 0.717586 0.833656 S\n0.659589 0.998565 0.943557 S\n0.752876 0.387096 0.833008 S\n0.892549 0.798697 0.654436 S\n0.296722 0.307843 0.540659 S\n0.355207 0.529184 0.706159 S\n0.184694 0.981419 0.532237 S\n0.693959 0.367173 0.538704 S\n0.616943 0.787543 0.160875 S\n0.984698 0.507980 0.376762 S\n0.069223 0.143316 0.722126 S\n0.517650 0.846418 0.603528 S\n0.366570 0.282414 0.166344 S\n0.678659 0.518626 0.043022 S\n0.321341 0.481374 0.956978 S\n0.009501 0.372227 0.114498 S\n0.482350 0.153582 0.396472 S\n",
            "nsites": 54,
            "nelements": 3,
            "elements": [
                "Pr",
                "Si",
                "S"
            ],
            "chemical_system": "Pr-S-Si",
            "density": 3.8533777462179666,
            "density_atomic": 0.04168964710155186,
            "volume": 1295.2856105608507,
            "volume_molar": 14.445170872592566,
            "formula_full": "Pr12 Si8 S34",
            "formula_reduced": "Pr6Si4S17",
            "formula_anonymous": "A4B6C17",
            "energy": -337.69371242999995,
            "energy_per_atom": -6.253587267222222,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -320.59171243,
            "band_gap": 2.5372000000000003,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0035753,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:32.865000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-675749",
            "created_at": "2022-09-04T14:39:15.888893Z",
            "structure_string": "Sm6 Th4 O17\n1.0\n3.381412 0.000000 1.952259\n1.127138 3.188026 1.952259\n-0.481556 -0.340511 39.879255\nSm Th O\n6 4 17\ndirect\n0.985991 0.985991 0.504203 Sm\n0.007108 0.007108 0.397868 Sm\n0.009096 0.009096 0.597271 Sm\n0.986450 0.986450 0.704065 Sm\n0.009537 0.009537 0.797139 Sm\n0.988993 0.988993 0.903302 Sm\n0.007264 0.007264 0.997821 Th\n0.006338 0.006338 0.098099 Th\n0.005199 0.005199 0.298440 Th\n0.005269 0.005269 0.198419 Th\n0.247875 0.247875 0.025638 O\n0.247046 0.247046 0.125886 O\n0.748394 0.748394 0.075482 O\n0.245372 0.245372 0.226388 O\n0.747698 0.747698 0.175690 O\n0.249659 0.249659 0.325102 O\n0.747989 0.747989 0.275603 O\n0.717812 0.717812 0.384656 O\n0.248943 0.248943 0.525317 O\n0.782343 0.782343 0.465297 O\n0.721286 0.721286 0.583614 O\n0.249280 0.249280 0.725216 O\n0.783437 0.783437 0.664969 O\n0.721112 0.721112 0.783666 O\n0.247544 0.247544 0.925737 O\n0.784329 0.784329 0.864701 O\n0.748635 0.748635 0.975410 O\n",
            "nsites": 27,
            "nelements": 3,
            "elements": [
                "Sm",
                "Th",
                "O"
            ],
            "chemical_system": "O-Sm-Th",
            "density": 8.036355752077998,
            "density_atomic": 0.062155377537268554,
            "volume": 434.39523770587215,
            "volume_molar": 9.68884913680897,
            "formula_full": "Sm6 Th4 O17",
            "formula_reduced": "Sm6Th4O17",
            "formula_anonymous": "A4B6C17",
            "energy": -250.20924562,
            "energy_per_atom": -9.267009097037036,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -238.53024562,
            "band_gap": 1.9227,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 7.5e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:41.613000Z",
            "spacegroup": 160
        },
        {
            "id": "mp-557561",
            "created_at": "2022-09-04T14:44:30.589456Z",
            "structure_string": "Sm12 Si8 S34\n1.0\n8.938018 0.000000 0.000000\n0.175185 9.889801 0.000000\n0.658239 1.953006 14.028652\nSm Si S\n12 8 34\ndirect\n0.912840 0.918931 0.834494 Sm\n0.664590 0.591150 0.657681 Sm\n0.087160 0.081069 0.165506 Sm\n0.012061 0.766465 0.463802 Sm\n0.363610 0.060514 0.678276 Sm\n0.449967 0.737619 0.002024 Sm\n0.105934 0.383896 0.814195 Sm\n0.636390 0.939486 0.321724 Sm\n0.987939 0.233535 0.536198 Sm\n0.550033 0.262381 0.997976 Sm\n0.894066 0.616104 0.185805 Sm\n0.335410 0.408850 0.342319 Sm\n0.767970 0.560522 0.900552 Si\n0.248433 0.059240 0.922564 Si\n0.232030 0.439478 0.099448 Si\n0.720617 0.943913 0.607270 Si\n0.750005 0.499478 0.416429 Si\n0.249995 0.500522 0.583571 Si\n0.751567 0.940760 0.077436 Si\n0.279383 0.056087 0.392730 Si\n0.487527 0.153884 0.397464 S\n0.700140 0.695093 0.458943 S\n0.697125 0.365547 0.541741 S\n0.658870 0.000500 0.942406 S\n0.991321 0.625639 0.883452 S\n0.109473 0.202693 0.343117 S\n0.008679 0.374361 0.116548 S\n0.985899 0.508995 0.377383 S\n0.644769 0.467090 0.291929 S\n0.341130 0.999500 0.057594 S\n0.322072 0.483021 0.955718 S\n0.816411 0.021261 0.468786 S\n0.686407 0.087476 0.702604 S\n0.749237 0.383691 0.830660 S\n0.370252 0.280007 0.166537 S\n0.744862 0.118835 0.149070 S\n0.512473 0.846116 0.602536 S\n0.677928 0.516979 0.044282 S\n0.299860 0.304907 0.541057 S\n0.937336 0.858598 0.279746 S\n0.038070 0.151007 0.952113 S\n0.620004 0.786208 0.162428 S\n0.961930 0.848993 0.047887 S\n0.250763 0.616309 0.169340 S\n0.014101 0.491005 0.622617 S\n0.629748 0.719993 0.833463 S\n0.255138 0.881165 0.850930 S\n0.379996 0.213792 0.837572 S\n0.313593 0.912524 0.297396 S\n0.890527 0.797307 0.656883 S\n0.355231 0.532910 0.708071 S\n0.183589 0.978739 0.531214 S\n0.062664 0.141402 0.720254 S\n0.302875 0.634453 0.458259 S\n",
            "nsites": 54,
            "nelements": 3,
            "elements": [
                "Sm",
                "Si",
                "S"
            ],
            "chemical_system": "S-Si-Sm",
            "density": 4.176856442702489,
            "density_atomic": 0.043546077371152805,
            "volume": 1240.0657707867947,
            "volume_molar": 13.82935300617773,
            "formula_full": "Sm12 Si8 S34",
            "formula_reduced": "Sm6Si4S17",
            "formula_anonymous": "A4B6C17",
            "energy": -335.95543594,
            "energy_per_atom": -6.221396961851851,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -318.85343594,
            "band_gap": 2.3161,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0160406,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:43.194000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-560692",
            "created_at": "2022-09-04T14:41:51.497076Z",
            "structure_string": "K16 Nb24 O68\n1.0\n6.604068 0.000000 0.000000\n0.000000 7.938952 0.000000\n0.000000 0.000000 33.703336\nK Nb O\n16 24 68\ndirect\n0.846768 0.755459 0.717567 K\n0.348469 0.754348 0.781124 K\n0.219442 0.259534 0.980665 K\n0.669338 0.256182 0.916861 K\n0.780558 0.759534 0.019335 K\n0.169338 0.756182 0.583139 K\n0.719442 0.759534 0.519335 K\n0.346768 0.255459 0.782433 K\n0.330662 0.756182 0.083139 K\n0.653232 0.755459 0.217567 K\n0.153232 0.255459 0.282433 K\n0.151531 0.754348 0.281124 K\n0.651531 0.254348 0.218876 K\n0.280558 0.259534 0.480665 K\n0.848469 0.254348 0.718876 K\n0.830662 0.256182 0.416861 K\n0.138879 0.257952 0.094488 Nb\n0.182362 0.760366 0.451345 Nb\n0.735976 0.514312 0.625958 Nb\n0.264024 0.014312 0.374042 Nb\n0.705177 0.504002 0.325998 Nb\n0.817638 0.260366 0.548655 Nb\n0.235976 0.014312 0.874042 Nb\n0.764024 0.514312 0.125958 Nb\n0.682362 0.260366 0.048655 Nb\n0.205177 0.004002 0.174002 Nb\n0.738430 0.001152 0.625310 Nb\n0.761570 0.001152 0.125310 Nb\n0.361121 0.257952 0.594488 Nb\n0.794823 0.504002 0.825998 Nb\n0.317638 0.760366 0.951345 Nb\n0.292544 0.508705 0.674414 Nb\n0.861121 0.757952 0.905512 Nb\n0.238430 0.501152 0.874690 Nb\n0.294823 0.004002 0.674002 Nb\n0.792544 0.008705 0.825586 Nb\n0.707456 0.008705 0.325586 Nb\n0.638879 0.757952 0.405512 Nb\n0.261570 0.501152 0.374690 Nb\n0.207456 0.508705 0.174414 Nb\n0.875331 0.262481 0.496514 O\n0.690844 0.021123 0.067698 O\n0.587888 0.995845 0.391635 O\n0.494213 0.009673 0.850731 O\n0.784004 0.757998 0.119649 O\n0.591783 0.008214 0.678677 O\n0.505787 0.509673 0.149269 O\n0.308281 0.997828 0.931907 O\n0.287645 0.482120 0.225316 O\n0.215996 0.257998 0.880351 O\n0.909984 0.507231 0.179181 O\n0.214973 0.257521 0.157043 O\n0.773251 0.256740 0.831030 O\n0.005787 0.009673 0.350731 O\n0.890490 0.759637 0.429800 O\n0.726749 0.256740 0.331030 O\n0.908217 0.008214 0.178677 O\n0.697392 0.258315 0.619523 O\n0.714973 0.757521 0.342957 O\n0.190844 0.521123 0.432302 O\n0.590016 0.507231 0.679181 O\n0.712355 0.982120 0.774684 O\n0.496931 0.505326 0.851630 O\n0.286334 0.031783 0.224804 O\n0.912112 0.995845 0.891635 O\n0.912532 0.519944 0.892005 O\n0.514657 0.259006 0.545079 O\n0.273251 0.756740 0.668970 O\n0.412112 0.495845 0.608365 O\n0.284004 0.257998 0.380351 O\n0.787645 0.982120 0.274684 O\n0.715996 0.757998 0.619649 O\n0.996931 0.005326 0.648370 O\n0.109510 0.259637 0.570200 O\n0.808281 0.497828 0.568093 O\n0.785027 0.757521 0.842957 O\n0.985343 0.259006 0.045079 O\n0.802608 0.258315 0.119523 O\n0.375331 0.762481 0.003486 O\n0.587468 0.519944 0.392005 O\n0.213666 0.031783 0.724804 O\n0.809156 0.021123 0.567698 O\n0.090016 0.007231 0.820819 O\n0.087468 0.019944 0.107995 O\n0.014657 0.759006 0.954921 O\n0.087888 0.495845 0.108365 O\n0.624669 0.262481 0.996514 O\n0.408217 0.508214 0.321323 O\n0.197392 0.758315 0.880477 O\n0.309156 0.521123 0.932302 O\n0.390490 0.259637 0.070200 O\n0.786334 0.531783 0.275196 O\n0.212355 0.482120 0.725316 O\n0.302608 0.758315 0.380477 O\n0.285027 0.257521 0.657043 O\n0.124669 0.762481 0.503486 O\n0.503069 0.005326 0.148370 O\n0.691719 0.497828 0.068093 O\n0.003069 0.505326 0.351630 O\n0.485343 0.759006 0.454921 O\n0.412532 0.019944 0.607995 O\n0.191719 0.997828 0.431907 O\n0.609510 0.759637 0.929800 O\n0.409984 0.007231 0.320819 O\n0.713666 0.531783 0.775196 O\n0.091783 0.508214 0.821323 O\n0.226749 0.756740 0.168970 O\n0.994213 0.509673 0.649269 O\n",
            "nsites": 108,
            "nelements": 3,
            "elements": [
                "K",
                "Nb",
                "O"
            ],
            "chemical_system": "K-Nb-O",
            "density": 3.7056097024720356,
            "density_atomic": 0.06111898775564512,
            "volume": 1767.044971879869,
            "volume_molar": 9.853142175843345,
            "formula_full": "K16 Nb24 O68",
            "formula_reduced": "K4Nb6O17",
            "formula_anonymous": "A4B6C17",
            "energy": -912.67225299,
            "energy_per_atom": -8.450669009166667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -865.9562529899999,
            "band_gap": 2.6689,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0196786,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:32.632000Z",
            "spacegroup": 33
        },
        {
            "id": "mp-605707",
            "created_at": "2022-09-04T14:44:18.345578Z",
            "structure_string": "Gd8 P12 H32 O46\n1.0\n6.986455 0.013936 -0.028017\n-3.336355 12.059769 -4.346264\n0.091508 0.000703 13.750428\nGd P H O\n8 12 32 46\ndirect\n0.325955 0.618059 0.898553 Gd\n0.674045 0.381941 0.101447 Gd\n0.842815 0.117737 0.900496 Gd\n0.157185 0.882263 0.099504 Gd\n0.492216 0.637875 0.619871 Gd\n0.976745 0.866453 0.371924 Gd\n0.023255 0.133547 0.628076 Gd\n0.507784 0.362125 0.380129 Gd\n0.338920 0.399671 0.641395 P\n0.493068 0.853603 0.881495 P\n0.506932 0.146397 0.118505 P\n0.018742 0.411626 0.307886 P\n0.981258 0.588374 0.692114 P\n0.661080 0.600329 0.358605 P\n0.993639 0.649966 0.119211 P\n0.881157 0.896276 0.648312 P\n0.118843 0.103724 0.351688 P\n0.006361 0.350034 0.880789 P\n0.517949 0.093739 0.684855 P\n0.482051 0.906261 0.315145 P\n0.406386 0.356904 0.904603 H\n0.733165 0.575987 0.943490 H\n0.281460 0.096350 0.860985 H\n0.026643 0.856095 0.683140 H\n0.892843 0.845954 0.899433 H\n0.371744 0.897401 0.833950 H\n0.986359 0.246934 0.124794 H\n0.882664 0.385996 0.826229 H\n0.718540 0.903650 0.139015 H\n0.493605 0.360126 0.667375 H\n0.267992 0.411426 0.166623 H\n0.943368 0.472146 0.655265 H\n0.477170 0.738423 0.126053 H\n0.195010 0.697067 0.526588 H\n0.532174 0.023101 0.351056 H\n0.522830 0.261577 0.873947 H\n0.266835 0.424013 0.056510 H\n0.506395 0.639874 0.332625 H\n0.973357 0.143905 0.316860 H\n0.643000 0.227783 0.520166 H\n0.467826 0.976899 0.648944 H\n0.056632 0.527854 0.344735 H\n0.628256 0.102599 0.166050 H\n0.013641 0.753066 0.875206 H\n0.771566 0.932198 0.038542 H\n0.117336 0.614004 0.173771 H\n0.804990 0.302933 0.473412 H\n0.593614 0.643096 0.095397 H\n0.357000 0.772217 0.479834 H\n0.732008 0.588574 0.833377 H\n0.107157 0.154046 0.100567 H\n0.228434 0.067802 0.961458 H\n0.573668 0.130490 0.803688 O\n0.504683 0.740288 0.805553 O\n0.331789 0.128075 0.666127 O\n0.146489 0.309160 0.626779 O\n0.952424 0.373458 0.189587 O\n0.683992 0.810296 0.630496 O\n0.308956 0.866465 0.374518 O\n0.169572 0.076147 0.900293 O\n0.032981 0.237142 0.810213 O\n0.830428 0.923853 0.099707 O\n0.954264 0.924612 0.551185 O\n0.495317 0.259712 0.194447 O\n0.654938 0.489362 0.272197 O\n0.389351 0.432162 0.544049 O\n0.100325 0.675474 0.028098 O\n0.116294 0.989685 0.270213 O\n0.303774 0.059503 0.085690 O\n0.883706 0.010315 0.729787 O\n0.675266 0.294989 0.501865 O\n0.691044 0.133535 0.625482 O\n0.147641 0.634925 0.633483 O\n0.324734 0.705011 0.498135 O\n0.316008 0.189704 0.369504 O\n0.797943 0.558622 0.083342 O\n0.045736 0.075388 0.448815 O\n0.606332 0.171149 0.025350 O\n0.008718 0.828184 0.922778 O\n0.610649 0.567838 0.455951 O\n0.783204 0.615162 0.680491 O\n0.696226 0.940497 0.914310 O\n0.345062 0.510638 0.727803 O\n0.216796 0.384838 0.319509 O\n0.852359 0.365075 0.366517 O\n0.991282 0.171816 0.077222 O\n0.426332 0.869510 0.196312 O\n0.647161 0.576552 0.887726 O\n0.352839 0.423448 0.112274 O\n0.047576 0.626542 0.810413 O\n0.853511 0.690840 0.373221 O\n0.967019 0.762858 0.189787 O\n0.393668 0.828851 0.974650 O\n0.485990 0.668064 0.072939 O\n0.514010 0.331936 0.927061 O\n0.202057 0.441378 0.916658 O\n0.668211 0.871925 0.333873 O\n0.899675 0.324526 0.971902 O\n",
            "nsites": 98,
            "nelements": 4,
            "elements": [
                "Gd",
                "P",
                "H",
                "O"
            ],
            "chemical_system": "Gd-H-O-P",
            "density": 3.4348919007106895,
            "density_atomic": 0.08453895579447722,
            "volume": 1159.228891332038,
            "volume_molar": 7.123509751694161,
            "formula_full": "Gd8 P12 H32 O46",
            "formula_reduced": "Gd4P6H16O23",
            "formula_anonymous": "A4B6C16D23",
            "energy": -730.91661001,
            "energy_per_atom": -7.458332755204082,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -699.31461001,
            "band_gap": 2.7504,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 56.0005702,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:32.810000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-756194",
            "created_at": "2022-09-04T14:41:13.574335Z",
            "structure_string": "Tm4 B6 O15\n1.0\n4.503959 -6.712471 0.000000\n4.503959 6.712471 0.000000\n-5.499966 0.000000 5.923958\nTm B O\n4 6 15\ndirect\n0.100905 0.800372 0.276156 Tm\n0.800372 0.276156 0.100905 Tm\n0.994062 0.994062 0.994062 Tm\n0.276156 0.100905 0.800372 Tm\n0.268472 0.499026 0.190719 B\n0.509812 0.850502 0.598472 B\n0.850502 0.598472 0.509812 B\n0.499026 0.190719 0.268472 B\n0.190719 0.268472 0.499026 B\n0.598472 0.509812 0.850502 B\n0.805257 0.718056 0.986244 O\n0.083846 0.501111 0.116697 O\n0.359069 0.893441 0.592781 O\n0.470044 0.684741 0.408163 O\n0.247043 0.311923 0.051067 O\n0.893441 0.592781 0.359069 O\n0.986244 0.805257 0.718056 O\n0.501111 0.116697 0.083846 O\n0.051067 0.247043 0.311923 O\n0.684741 0.408163 0.470044 O\n0.408163 0.470044 0.684741 O\n0.311923 0.051067 0.247043 O\n0.116697 0.083846 0.501111 O\n0.592781 0.359069 0.893441 O\n0.718056 0.986244 0.805257 O\n",
            "nsites": 25,
            "nelements": 3,
            "elements": [
                "Tm",
                "B",
                "O"
            ],
            "chemical_system": "B-O-Tm",
            "density": 4.545895425138636,
            "density_atomic": 0.06979449855580747,
            "volume": 358.19442101170876,
            "volume_molar": 8.628388891116847,
            "formula_full": "Tm4 B6 O15",
            "formula_reduced": "Tm4(B2O5)3",
            "formula_anonymous": "A4B6C15",
            "energy": -215.15345313,
            "energy_per_atom": -8.6061381252,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -204.84845313,
            "band_gap": 5.0617,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0020772,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:11.300000Z",
            "spacegroup": 146
        }
    ]
}