GET /third-parties/MatprojStructure/?format=api&ordering=-is_theoretical&page=118
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=-is_theoretical&page=119",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_theoretical&page=117",
    "results": [
        {
            "id": "mp-1522736",
            "created_at": "2022-09-04T14:42:49.053335Z",
            "structure_string": "K1 Sr1 Eu1 Se1 O6\n1.0\n0.000000 -4.120790 -4.120790\n4.120790 0.000000 -4.120790\n4.120790 -4.120790 -0.000000\nK Sr Eu Se O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Se\n0.722036 0.277964 0.277964 O\n0.277964 0.722036 0.722036 O\n0.722036 0.277964 0.722036 O\n0.277964 0.722036 0.277964 O\n0.722036 0.722036 0.277964 O\n0.277964 0.277964 0.722036 O\n",
            "nsites": 10,
            "nelements": 5,
            "elements": [
                "K",
                "Sr",
                "Eu",
                "Se",
                "O"
            ],
            "chemical_system": "Eu-K-O-Se-Sr",
            "density": 5.382546000801364,
            "density_atomic": 0.07145433067152919,
            "volume": 139.94953008473811,
            "volume_molar": 8.427957694661476,
            "formula_full": "K1 Sr1 Eu1 Se1 O6",
            "formula_reduced": "KSrEuSeO6",
            "formula_anonymous": "ABCDE6",
            "energy": -68.61240933,
            "energy_per_atom": -6.861240933,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -64.49040933,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 5.9999998,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:48.567000Z",
            "spacegroup": 216
        },
        {
            "id": "mp-1214832",
            "created_at": "2022-09-04T14:42:49.190824Z",
            "structure_string": "Ca4 V4 Si16 H48 O44\n1.0\n9.769666 0.000000 0.000000\n0.000000 10.236969 0.000000\n0.000000 0.000000 14.087541\nCa V Si H O\n4 4 16 48 44\ndirect\n0.116694 0.154001 0.250000 Ca\n0.883306 0.845999 0.750000 Ca\n0.616694 0.345999 0.750000 Ca\n0.383306 0.654001 0.250000 Ca\n0.089690 0.479440 0.250000 V\n0.910310 0.520560 0.750000 V\n0.589690 0.020560 0.750000 V\n0.410310 0.979440 0.250000 V\n0.314282 0.103870 0.043772 Si\n0.685718 0.896130 0.956228 Si\n0.814282 0.396130 0.956228 Si\n0.685718 0.896130 0.543772 Si\n0.185718 0.603870 0.043772 Si\n0.314282 0.103870 0.456228 Si\n0.185718 0.603870 0.456228 Si\n0.814282 0.396130 0.543772 Si\n0.105721 0.326574 0.037034 Si\n0.894279 0.673426 0.962966 Si\n0.605721 0.173426 0.962966 Si\n0.894279 0.673426 0.537034 Si\n0.394279 0.826574 0.037034 Si\n0.105721 0.326574 0.462966 Si\n0.394279 0.826574 0.462966 Si\n0.605721 0.173426 0.537034 Si\n0.441614 0.375962 0.153694 H\n0.558386 0.624038 0.846306 H\n0.941614 0.124038 0.846306 H\n0.558386 0.624038 0.653694 H\n0.058386 0.875962 0.153694 H\n0.441614 0.375962 0.346306 H\n0.058386 0.875962 0.346306 H\n0.941614 0.124038 0.653694 H\n0.399405 0.373885 0.625211 H\n0.600595 0.626115 0.374789 H\n0.899405 0.126115 0.374789 H\n0.600595 0.626115 0.125211 H\n0.100595 0.873885 0.625211 H\n0.399405 0.373885 0.874789 H\n0.100595 0.873885 0.874789 H\n0.899405 0.126115 0.125211 H\n0.584203 0.554164 0.125819 H\n0.415797 0.445836 0.874181 H\n0.084203 0.945836 0.874181 H\n0.415797 0.445836 0.625819 H\n0.915797 0.054164 0.125819 H\n0.584203 0.554164 0.374181 H\n0.915797 0.054164 0.374181 H\n0.084203 0.945836 0.625819 H\n0.957552 0.100906 0.603098 H\n0.042448 0.899094 0.396902 H\n0.457552 0.399094 0.396902 H\n0.042448 0.899094 0.103098 H\n0.542448 0.600906 0.603098 H\n0.957552 0.100906 0.896902 H\n0.542448 0.600906 0.896902 H\n0.457552 0.399094 0.103098 H\n0.400947 0.325005 0.250000 H\n0.599053 0.674995 0.750000 H\n0.900947 0.174995 0.750000 H\n0.099053 0.825005 0.250000 H\n0.742450 0.164771 0.250000 H\n0.257550 0.835229 0.750000 H\n0.242450 0.335229 0.750000 H\n0.757550 0.664771 0.250000 H\n0.773838 0.232381 0.250000 H\n0.226162 0.767619 0.750000 H\n0.273838 0.267619 0.750000 H\n0.726162 0.732381 0.250000 H\n0.744666 0.415109 0.250000 H\n0.255334 0.584891 0.750000 H\n0.244666 0.084891 0.750000 H\n0.755334 0.915109 0.250000 H\n0.095675 0.331124 0.153080 O\n0.904325 0.668876 0.846920 O\n0.595675 0.168876 0.846920 O\n0.904325 0.668876 0.653080 O\n0.404325 0.831124 0.153080 O\n0.095675 0.331124 0.346920 O\n0.404325 0.831124 0.346920 O\n0.595675 0.168876 0.653080 O\n0.686520 0.043445 0.003048 O\n0.313480 0.956555 0.996952 O\n0.186520 0.456555 0.996952 O\n0.313480 0.956555 0.503048 O\n0.813480 0.543445 0.003048 O\n0.686520 0.043445 0.496952 O\n0.813480 0.543445 0.496952 O\n0.186520 0.456555 0.503048 O\n0.184148 0.190968 0.494827 O\n0.815852 0.809032 0.505173 O\n0.684148 0.309032 0.505173 O\n0.815852 0.809032 0.994827 O\n0.315852 0.690968 0.494827 O\n0.184148 0.190968 0.005173 O\n0.315852 0.690968 0.005173 O\n0.684148 0.309032 0.994827 O\n0.454038 0.179799 0.011638 O\n0.545962 0.820201 0.988362 O\n0.954038 0.320201 0.988362 O\n0.545962 0.820201 0.511638 O\n0.045962 0.679799 0.011638 O\n0.454038 0.179799 0.488362 O\n0.045962 0.679799 0.488362 O\n0.954038 0.320201 0.511638 O\n0.298706 0.087533 0.158365 O\n0.701294 0.912467 0.841635 O\n0.798706 0.412467 0.841635 O\n0.701294 0.912467 0.658365 O\n0.201294 0.587533 0.158365 O\n0.298706 0.087533 0.341635 O\n0.201294 0.587533 0.341635 O\n0.798706 0.412467 0.658365 O\n0.567142 0.033731 0.250000 O\n0.432858 0.966269 0.750000 O\n0.067142 0.466269 0.750000 O\n0.932858 0.533731 0.250000 O\n",
            "nsites": 116,
            "nelements": 5,
            "elements": [
                "Ca",
                "V",
                "Si",
                "H",
                "O"
            ],
            "chemical_system": "Ca-H-O-Si-V",
            "density": 1.845437273907667,
            "density_atomic": 0.08233257368813413,
            "volume": 1408.9198819338994,
            "volume_molar": 7.314408490145279,
            "formula_full": "Ca4 V4 Si16 H48 O44",
            "formula_reduced": "CaVSi4H12O11",
            "formula_anonymous": "ABC4D11E12",
            "energy": -698.6079752200001,
            "energy_per_atom": -6.022482545000001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -661.57997522,
            "band_gap": 0.0357,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 3.9951574,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:52.007000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-776825",
            "created_at": "2022-09-04T14:42:44.933914Z",
            "structure_string": "Ba4 Y12 F44\n1.0\n6.270447 0.000000 0.000000\n0.000000 7.855297 0.000000\n0.000000 0.000000 29.681134\nBa Y F\n4 12 44\ndirect\n0.229687 0.905991 0.209561 Ba\n0.270313 0.094009 0.709561 Ba\n0.729687 0.594009 0.790439 Ba\n0.770313 0.405991 0.290439 Ba\n0.241467 0.250309 0.086348 Y\n0.241410 0.589921 0.968787 Y\n0.235027 0.940626 0.852631 Y\n0.264973 0.059374 0.352631 Y\n0.258590 0.410079 0.468787 Y\n0.258533 0.749691 0.586348 Y\n0.741467 0.249691 0.913652 Y\n0.741410 0.910079 0.031213 Y\n0.735027 0.559374 0.147369 Y\n0.764973 0.440626 0.647369 Y\n0.758590 0.089921 0.531213 Y\n0.758533 0.750309 0.413652 Y\n0.020741 0.105558 0.890976 F\n0.015499 0.429872 0.118229 F\n0.091280 0.233496 0.307309 F\n0.000729 0.757786 0.000345 F\n0.017821 0.583886 0.438947 F\n0.021378 0.933367 0.559019 F\n0.044592 0.308892 0.673156 F\n0.228599 0.108986 0.793873 F\n0.240737 0.130296 0.151603 F\n0.237378 0.420682 0.027471 F\n0.245581 0.246154 0.409049 F\n0.254419 0.753846 0.909049 F\n0.262622 0.579318 0.527471 F\n0.259263 0.869704 0.651603 F\n0.271401 0.891014 0.293873 F\n0.455408 0.691108 0.173156 F\n0.478622 0.066633 0.059019 F\n0.482179 0.416114 0.938947 F\n0.499271 0.242214 0.500345 F\n0.408720 0.766504 0.807309 F\n0.484501 0.570128 0.618229 F\n0.479259 0.894442 0.390976 F\n0.520741 0.394442 0.109024 F\n0.515499 0.070128 0.881771 F\n0.591280 0.266504 0.692691 F\n0.500729 0.742214 0.999655 F\n0.517821 0.916114 0.561053 F\n0.521378 0.566633 0.440981 F\n0.544592 0.191108 0.326844 F\n0.728599 0.391014 0.206127 F\n0.740737 0.369704 0.848397 F\n0.737378 0.079318 0.972529 F\n0.745581 0.253846 0.590951 F\n0.754419 0.746154 0.090951 F\n0.762622 0.920682 0.472529 F\n0.759263 0.630296 0.348397 F\n0.771401 0.608986 0.706127 F\n0.955408 0.808892 0.826844 F\n0.978622 0.433367 0.940981 F\n0.982179 0.083886 0.061053 F\n0.999271 0.257786 0.499655 F\n0.908720 0.733496 0.192691 F\n0.984501 0.929872 0.381771 F\n0.979259 0.605558 0.609024 F\n",
            "nsites": 60,
            "nelements": 3,
            "elements": [
                "Ba",
                "Y",
                "F"
            ],
            "chemical_system": "Ba-F-Y",
            "density": 2.7851403185698786,
            "density_atomic": 0.04104021710015728,
            "volume": 1461.980570267745,
            "volume_molar": 14.673754637562386,
            "formula_full": "Ba4 Y12 F44",
            "formula_reduced": "BaY3F11",
            "formula_anonymous": "AB3C11",
            "energy": -427.82640395,
            "energy_per_atom": -7.130440065833333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -407.49840395,
            "band_gap": 6.1381000000000006,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001187,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:56.699000Z",
            "spacegroup": 19
        },
        {
            "id": "mp-1225446",
            "created_at": "2022-09-04T14:42:48.969523Z",
            "structure_string": "Dy1 Fe10 Mo2\n1.0\n0.000000 0.000000 4.726745\n-4.314467 4.257853 2.363372\n-4.314467 -4.257853 -2.363372\nDy Fe Mo\n1 10 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.718398 0.781602 0.218398 Fe\n0.281602 0.218398 0.781602 Fe\n0.500000 0.774602 0.774602 Fe\n0.500000 0.225398 0.225398 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.642847 0.357153 0.642847 Fe\n0.357153 0.642847 0.357153 Fe\n0.000000 0.357823 0.357823 Mo\n0.000000 0.642177 0.642177 Mo\n",
            "nsites": 13,
            "nelements": 3,
            "elements": [
                "Dy",
                "Fe",
                "Mo"
            ],
            "chemical_system": "Dy-Fe-Mo",
            "density": 8.728286994631171,
            "density_atomic": 0.07485716372332657,
            "volume": 173.6640737291121,
            "volume_molar": 8.044842284244087,
            "formula_full": "Dy1 Fe10 Mo2",
            "formula_reduced": "Dy(Fe5Mo)2",
            "formula_anonymous": "AB2C10",
            "energy": -111.10126497,
            "energy_per_atom": -8.546251151538462,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -111.10126497,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 18.8794527,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:50.024000Z",
            "spacegroup": 71
        },
        {
            "id": "mp-849767",
            "created_at": "2022-09-04T14:42:48.972443Z",
            "structure_string": "Mn6 Sn2 O16\n1.0\n-2.914789 1.682852 4.759864\n2.914792 -5.048531 -0.000008\n9.350047 2.032533 5.007136\nMn Sn O\n6 2 16\ndirect\n0.500000 0.499999 0.000000 Mn\n0.500001 0.999998 0.000000 Mn\n0.000001 0.500003 0.000000 Mn\n0.999999 0.499999 0.500000 Mn\n0.000001 0.000001 0.500000 Mn\n0.500000 0.500001 0.500000 Mn\n0.749988 0.499976 0.750035 Sn\n0.250011 0.500023 0.249965 Sn\n0.865056 0.730113 0.404831 O\n0.365058 0.730116 0.904825 O\n0.634942 0.269883 0.095175 O\n0.134943 0.269887 0.595169 O\n0.100342 0.746437 0.607469 O\n0.600295 0.746407 0.107482 O\n0.646094 0.292189 0.607469 O\n0.146111 0.292223 0.107482 O\n0.646095 0.746437 0.607469 O\n0.146112 0.746406 0.107482 O\n0.853888 0.253594 0.892518 O\n0.353905 0.253563 0.392531 O\n0.853889 0.707777 0.892518 O\n0.353906 0.707812 0.392531 O\n0.399705 0.253593 0.892518 O\n0.899658 0.253563 0.392531 O\n",
            "nsites": 24,
            "nelements": 3,
            "elements": [
                "Mn",
                "Sn",
                "O"
            ],
            "chemical_system": "Mn-O-Sn",
            "density": 4.525380853158566,
            "density_atomic": 0.07946887015575388,
            "volume": 302.0050486808425,
            "volume_molar": 7.577987139111191,
            "formula_full": "Mn6 Sn2 O16",
            "formula_reduced": "Mn3SnO8",
            "formula_anonymous": "AB3C8",
            "energy": -185.01561482,
            "energy_per_atom": -7.708983950833333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -164.01561482,
            "band_gap": 1.3142999999999998,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 9e-06,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:50.683000Z",
            "spacegroup": 166
        },
        {
            "id": "mp-1226282",
            "created_at": "2022-09-04T14:42:44.796267Z",
            "structure_string": "Cr4 In1 Cu1 S8\n1.0\n6.294742 -3.560494 0.000000\n6.294742 3.560494 0.000000\n4.280820 0.000000 5.828849\nCr In Cu S\n4 1 1 8\ndirect\n0.372738 0.372738 0.372738 Cr\n0.509171 0.996738 0.996738 Cr\n0.996738 0.996738 0.509171 Cr\n0.996738 0.509171 0.996738 Cr\n0.997180 0.997180 0.997180 In\n0.625947 0.625947 0.625947 Cu\n0.232482 0.745058 0.745058 S\n0.745058 0.745058 0.232482 S\n0.745058 0.232482 0.745058 S\n0.758886 0.758886 0.758886 S\n0.769257 0.255021 0.255021 S\n0.255021 0.255021 0.769257 S\n0.255021 0.769257 0.255021 S\n0.240706 0.240706 0.240706 S\n",
            "nsites": 14,
            "nelements": 4,
            "elements": [
                "Cr",
                "In",
                "Cu",
                "S"
            ],
            "chemical_system": "Cr-Cu-In-S",
            "density": 4.085734886340503,
            "density_atomic": 0.05358300212442118,
            "volume": 261.2768871645456,
            "volume_molar": 11.238901370282363,
            "formula_full": "Cr4 In1 Cu1 S8",
            "formula_reduced": "Cr4InCuS8",
            "formula_anonymous": "ABC4D8",
            "energy": -90.66466531,
            "energy_per_atom": -6.476047522142857,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -86.64066531,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 12.0001597,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:56.031000Z",
            "spacegroup": 160
        },
        {
            "id": "mp-1206412",
            "created_at": "2022-09-04T14:42:48.995303Z",
            "structure_string": "Nd2 Ga1 Co2\n1.0\n-2.054223 2.758854 4.370105\n2.054223 -2.758854 4.370105\n2.054223 2.758854 -4.370105\nNd Ga Co\n2 1 2\ndirect\n0.294143 0.794143 0.500000 Nd\n0.705857 0.205857 0.500000 Nd\n0.000000 0.000000 0.000000 Ga\n0.712685 0.500000 0.212685 Co\n0.287315 0.500000 0.787315 Co\n",
            "nsites": 5,
            "nelements": 3,
            "elements": [
                "Nd",
                "Ga",
                "Co"
            ],
            "chemical_system": "Co-Ga-Nd",
            "density": 7.97985199117034,
            "density_atomic": 0.05047099140680926,
            "volume": 99.06680769748914,
            "volume_molar": 11.931885211962621,
            "formula_full": "Nd2 Ga1 Co2",
            "formula_reduced": "Nd2GaCo2",
            "formula_anonymous": "AB2C2",
            "energy": -28.18321433,
            "energy_per_atom": -5.636642866,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -28.18321433,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.4354253,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:00.588000Z",
            "spacegroup": 71
        },
        {
            "id": "mp-1205808",
            "created_at": "2022-09-04T14:42:44.799903Z",
            "structure_string": "Rb2 Li1 Yb1 Cl6\n1.0\n0.000000 5.231582 5.231582\n5.231582 0.000000 5.231582\n5.231582 5.231582 0.000000\nRb Li Yb Cl\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Yb\n0.743670 0.256330 0.256330 Cl\n0.256330 0.743670 0.743670 Cl\n0.256330 0.743670 0.256330 Cl\n0.743670 0.256330 0.743670 Cl\n0.256330 0.256330 0.743670 Cl\n0.743670 0.743670 0.256330 Cl\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "Rb",
                "Li",
                "Yb",
                "Cl"
            ],
            "chemical_system": "Cl-Li-Rb-Yb",
            "density": 3.2682678112101655,
            "density_atomic": 0.0349197313424094,
            "volume": 286.37104627019784,
            "volume_molar": 17.245667502276046,
            "formula_full": "Rb2 Li1 Yb1 Cl6",
            "formula_reduced": "Rb2LiYbCl6",
            "formula_anonymous": "ABC2D6",
            "energy": -38.30192826,
            "energy_per_atom": -3.8301928259999998,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -34.61792826,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 1.0061082,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:53.743000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-1226620",
            "created_at": "2022-09-04T14:42:49.006269Z",
            "structure_string": "Ce1 Cu1 Si1\n1.0\n2.056462 -3.561896 0.000000\n2.056462 3.561896 0.000000\n0.000000 0.000000 4.046824\nCe Cu Si\n1 1 1\ndirect\n0.333333 0.666667 0.000000 Ce\n0.666667 0.333333 0.500000 Cu\n0.000000 0.000000 0.500000 Si\n",
            "nsites": 3,
            "nelements": 3,
            "elements": [
                "Ce",
                "Cu",
                "Si"
            ],
            "chemical_system": "Ce-Cu-Si",
            "density": 6.491094308631935,
            "density_atomic": 0.050602854779264274,
            "volume": 59.28519276405175,
            "volume_molar": 11.90079252696177,
            "formula_full": "Ce1 Cu1 Si1",
            "formula_reduced": "CeCuSi",
            "formula_anonymous": "ABC",
            "energy": -17.06267972,
            "energy_per_atom": -5.687559906666666,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -17.13367972,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.9872135,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:50.577000Z",
            "spacegroup": 187
        },
        {
            "id": "mp-1209488",
            "created_at": "2022-09-04T14:42:49.006576Z",
            "structure_string": "Rb8 Pr4 Br20\n1.0\n8.783487 0.000000 0.000000\n0.000000 9.453188 0.000000\n0.000000 0.000000 14.106720\nRb Pr Br\n8 4 20\ndirect\n0.947477 0.005060 0.827888 Rb\n0.052523 0.994940 0.172112 Rb\n0.447477 0.994940 0.672112 Rb\n0.052523 0.505060 0.172112 Rb\n0.552523 0.005060 0.327888 Rb\n0.947477 0.494940 0.827888 Rb\n0.552523 0.494940 0.327888 Rb\n0.447477 0.505060 0.672112 Rb\n0.924618 0.750000 0.504634 Pr\n0.075382 0.250000 0.495366 Pr\n0.424618 0.250000 0.995366 Pr\n0.575382 0.750000 0.004634 Pr\n0.122096 0.750000 0.674916 Br\n0.877904 0.250000 0.325084 Br\n0.622096 0.250000 0.825084 Br\n0.377904 0.750000 0.174916 Br\n0.839158 0.042318 0.574346 Br\n0.160842 0.957682 0.425654 Br\n0.339158 0.957682 0.925654 Br\n0.160842 0.542318 0.425654 Br\n0.660842 0.042318 0.074346 Br\n0.839158 0.457682 0.574346 Br\n0.660842 0.457682 0.074346 Br\n0.339158 0.542318 0.925654 Br\n0.584730 0.750000 0.508783 Br\n0.415270 0.250000 0.491217 Br\n0.084730 0.250000 0.991217 Br\n0.915270 0.750000 0.008783 Br\n0.660551 0.750000 0.800709 Br\n0.339449 0.250000 0.199291 Br\n0.160551 0.250000 0.699291 Br\n0.839449 0.750000 0.300709 Br\n",
            "nsites": 32,
            "nelements": 3,
            "elements": [
                "Rb",
                "Pr",
                "Br"
            ],
            "chemical_system": "Br-Pr-Rb",
            "density": 4.033937915230114,
            "density_atomic": 0.02731987287902412,
            "volume": 1171.3085248126915,
            "volume_molar": 22.04307753065619,
            "formula_full": "Rb8 Pr4 Br20",
            "formula_reduced": "Rb2PrBr5",
            "formula_anonymous": "AB2C5",
            "energy": -130.6649558,
            "energy_per_atom": -4.08327986875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -119.9849558,
            "band_gap": 3.9918,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0080314,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:52.939000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-1254365",
            "created_at": "2022-09-04T14:42:49.014421Z",
            "structure_string": "Na8 Al11 Si13 Ag3 O48\n1.0\n12.675282 0.022788 0.108272\n0.021334 12.466212 0.011353\n0.114084 0.010693 11.813302\nNa Al Si Ag O\n8 11 13 3 48\ndirect\n0.206507 0.201979 0.194027 Na\n0.586158 0.996897 0.536833 Na\n0.583930 0.377115 0.916187 Na\n0.593669 0.606363 0.061530 Na\n0.795428 0.200708 0.828382 Na\n0.773863 0.216129 0.195764 Na\n0.789545 0.794888 0.182308 Na\n0.779424 0.804362 0.817968 Na\n0.181032 0.367926 0.001244 Al\n0.378929 0.002151 0.797006 Al\n0.379763 0.808745 0.999453 Al\n0.612728 0.999043 0.222659 Al\n0.623792 0.173266 0.008170 Al\n0.619164 0.003739 0.794994 Al\n0.622251 0.826423 0.011498 Al\n0.821666 0.999490 0.370542 Al\n0.838567 0.994861 0.641882 Al\n0.813347 0.380056 0.003788 Al\n0.819072 0.626781 0.994934 Al\n0.979633 0.182156 0.366248 Si\n0.996987 0.375981 0.194420 Si\n0.988387 0.181795 0.634776 Si\n0.002021 0.622747 0.190022 Si\n0.005000 0.372714 0.809570 Si\n0.989317 0.821108 0.362967 Si\n0.009363 0.624516 0.807075 Si\n0.001139 0.815909 0.632920 Si\n0.170661 0.004082 0.624757 Si\n0.184115 0.624552 0.998163 Si\n0.160901 0.006298 0.360607 Si\n0.368716 0.000517 0.192162 Si\n0.377856 0.187256 0.999806 Si\n0.214075 0.807371 0.803845 Ag\n0.206902 0.192837 0.805015 Ag\n0.205883 0.796013 0.194092 Ag\n0.994761 0.299642 0.307333 O\n0.010020 0.500584 0.238495 O\n0.002192 0.298875 0.694922 O\n0.008137 0.706753 0.296426 O\n0.991321 0.791757 0.497477 O\n0.099017 0.112181 0.651572 O\n0.109434 0.649844 0.113219 O\n0.112255 0.656547 0.885725 O\n0.108593 0.890096 0.653656 O\n0.090674 0.114274 0.335300 O\n0.101318 0.339954 0.121492 O\n0.110521 0.334436 0.877658 O\n0.097344 0.894596 0.331185 O\n0.199918 0.003149 0.489790 O\n0.219068 0.501226 0.994308 O\n0.262317 0.018262 0.276893 O\n0.287532 0.280228 0.017147 O\n0.280950 0.706673 0.004426 O\n0.272559 0.012604 0.700298 O\n0.356498 0.107619 0.110706 O\n0.354999 0.119842 0.884029 O\n0.345190 0.890536 0.121903 O\n0.353286 0.885949 0.878469 O\n0.495010 0.239669 0.001965 O\n0.497389 0.007055 0.724256 O\n0.474569 0.001205 0.263133 O\n0.502897 0.751040 0.014075 O\n0.641386 0.112131 0.137995 O\n0.644251 0.120831 0.873294 O\n0.642154 0.884075 0.144191 O\n0.639092 0.896048 0.886372 O\n0.686197 0.000635 0.350118 O\n0.714620 0.283729 0.003543 O\n0.725057 0.726423 0.006199 O\n0.707929 0.988791 0.678820 O\n0.875234 0.998034 0.502349 O\n0.748446 0.504775 0.994666 O\n0.894466 0.116665 0.697780 O\n0.897007 0.642498 0.118303 O\n0.899034 0.650200 0.872136 O\n0.902146 0.874461 0.694277 O\n0.880611 0.120963 0.311654 O\n0.887055 0.361006 0.128282 O\n0.896878 0.355491 0.882859 O\n0.886573 0.879677 0.312348 O\n0.974474 0.207572 0.501059 O\n0.018966 0.498589 0.770246 O\n0.024067 0.699634 0.693642 O\n",
            "nsites": 83,
            "nelements": 5,
            "elements": [
                "Na",
                "Al",
                "Si",
                "Ag",
                "O"
            ],
            "chemical_system": "Ag-Al-Na-O-Si",
            "density": 1.7236258153472996,
            "density_atomic": 0.04446846683721076,
            "volume": 1866.4911543688854,
            "volume_molar": 13.542496938438937,
            "formula_full": "Na8 Al11 Si13 Ag3 O48",
            "formula_reduced": "Na8Al11Si13(AgO16)3",
            "formula_anonymous": "A3B8C11D13E48",
            "energy": -612.5465972,
            "energy_per_atom": -7.380079484337349,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -579.5705972,
            "band_gap": 2.2473,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:58.718000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1207762",
            "created_at": "2022-09-04T14:42:56.401336Z",
            "structure_string": "Y8 Pt2\n1.0\n-5.535602 -5.535602 0.000000\n-5.535602 0.000000 -5.535602\n0.000000 -5.535602 -5.535602\nY Pt\n8 2\ndirect\n0.610998 0.610998 0.610998 Y\n0.167007 0.610998 0.610998 Y\n0.610998 0.167007 0.610998 Y\n0.582993 0.139002 0.139002 Y\n0.139002 0.139002 0.139002 Y\n0.610998 0.610998 0.167007 Y\n0.139002 0.582993 0.139002 Y\n0.139002 0.139002 0.582993 Y\n0.000000 0.000000 0.000000 Pt\n0.750000 0.750000 0.750000 Pt\n",
            "nsites": 10,
            "nelements": 2,
            "elements": [
                "Y",
                "Pt"
            ],
            "chemical_system": "Pt-Y",
            "density": 5.3910757856885825,
            "density_atomic": 0.029476467213318473,
            "volume": 339.25368083057316,
            "volume_molar": 20.43033419309825,
            "formula_full": "Y8 Pt2",
            "formula_reduced": "Y4Pt",
            "formula_anonymous": "AB4",
            "energy": -64.20256652,
            "energy_per_atom": -6.420256652000001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -64.20256652,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.2294038,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:04.046000Z",
            "spacegroup": 227
        }
    ]
}