GET /third-parties/MatprojStructure/?format=api&ordering=decomposes_to&page=12193
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=decomposes_to&page=12194",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=decomposes_to&page=12192",
    "results": [
        {
            "id": "mp-555639",
            "created_at": "2022-09-04T14:44:12.899634Z",
            "structure_string": "Sm24 Os8 O56\n1.0\n7.502366 0.000000 0.000000\n0.000000 10.810437 0.000000\n0.000000 0.000000 15.031727\nSm Os O\n24 8 56\ndirect\n0.003372 0.171273 0.110464 Sm\n0.496628 0.171273 0.610464 Sm\n0.496867 0.687942 0.861046 Sm\n0.751103 0.948111 0.972947 Sm\n0.003133 0.687942 0.361046 Sm\n0.743155 0.910454 0.223059 Sm\n0.996867 0.187942 0.638954 Sm\n0.235401 0.898459 0.521603 Sm\n0.756845 0.459878 0.728572 Sm\n0.503372 0.671273 0.389536 Sm\n0.243155 0.410454 0.276941 Sm\n0.256845 0.959878 0.771428 Sm\n0.996628 0.671273 0.889536 Sm\n0.756845 0.910454 0.723059 Sm\n0.256845 0.410454 0.776941 Sm\n0.251103 0.448111 0.527053 Sm\n0.243155 0.959878 0.271428 Sm\n0.748897 0.948111 0.472947 Sm\n0.743155 0.459878 0.228572 Sm\n0.264599 0.898459 0.021603 Sm\n0.764599 0.398459 0.478397 Sm\n0.735401 0.398459 0.978397 Sm\n0.503133 0.187942 0.138954 Sm\n0.248897 0.448111 0.027053 Sm\n0.497892 0.677861 0.126168 Os\n0.998301 0.680327 0.124923 Os\n0.501699 0.680327 0.624923 Os\n0.997892 0.177861 0.373832 Os\n0.002108 0.677861 0.626168 Os\n0.498301 0.180327 0.375077 Os\n0.502108 0.177861 0.873832 Os\n0.001699 0.180327 0.875077 Os\n0.241352 0.048504 0.630064 O\n0.735550 0.812896 0.356829 O\n0.451244 0.830327 0.190568 O\n0.468327 0.307215 0.469107 O\n0.264579 0.810819 0.380298 O\n0.039833 0.053399 0.968442 O\n0.764579 0.310819 0.119702 O\n0.758648 0.548504 0.369936 O\n0.235421 0.810819 0.880298 O\n0.460167 0.053399 0.468442 O\n0.748255 0.687910 0.166692 O\n0.461745 0.574166 0.236002 O\n0.958666 0.522430 0.561626 O\n0.966219 0.309150 0.780275 O\n0.467334 0.555906 0.720660 O\n0.266150 0.545543 0.893795 O\n0.960167 0.553399 0.031558 O\n0.461637 0.280206 0.984348 O\n0.248713 0.669923 0.084037 O\n0.032666 0.555906 0.220660 O\n0.751287 0.169923 0.915963 O\n0.033781 0.809150 0.219725 O\n0.961637 0.780206 0.515652 O\n0.961745 0.074166 0.263998 O\n0.251287 0.669923 0.584037 O\n0.041334 0.022430 0.438374 O\n0.048756 0.830327 0.690568 O\n0.031673 0.307215 0.969107 O\n0.264450 0.312896 0.643171 O\n0.235550 0.312896 0.143171 O\n0.533781 0.309150 0.280275 O\n0.766150 0.045543 0.606205 O\n0.538363 0.780206 0.015652 O\n0.458666 0.022430 0.938374 O\n0.741352 0.548504 0.869936 O\n0.764450 0.812896 0.856829 O\n0.251745 0.187910 0.833308 O\n0.532666 0.055906 0.279340 O\n0.258648 0.048504 0.130064 O\n0.233850 0.545543 0.393795 O\n0.539833 0.553399 0.531558 O\n0.538255 0.074166 0.763998 O\n0.541334 0.522430 0.061626 O\n0.733850 0.045543 0.106205 O\n0.951244 0.330327 0.309432 O\n0.038255 0.574166 0.736002 O\n0.735421 0.310819 0.619702 O\n0.531673 0.807215 0.530893 O\n0.466219 0.809150 0.719725 O\n0.968327 0.807215 0.030893 O\n0.548756 0.330327 0.809432 O\n0.751745 0.687910 0.666692 O\n0.748713 0.169923 0.415963 O\n0.967334 0.055906 0.779340 O\n0.038363 0.280206 0.484348 O\n0.248255 0.187910 0.333308 O\n",
            "nsites": 88,
            "nelements": 3,
            "elements": [
                "Sm",
                "Os",
                "O"
            ],
            "chemical_system": "O-Os-Sm",
            "density": 8.208428481596439,
            "density_atomic": 0.07218256241597307,
            "volume": 1219.131006916523,
            "volume_molar": 8.342930146058903,
            "formula_full": "Sm24 Os8 O56",
            "formula_reduced": "Sm3OsO7",
            "formula_anonymous": "AB3C7",
            "energy": -755.94578732,
            "energy_per_atom": -8.590293037727273,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -717.47378732,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 16.8676914,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:26.789000Z",
            "spacegroup": 33
        },
        {
            "id": "mp-887324",
            "created_at": "2022-09-04T14:44:12.901732Z",
            "structure_string": "Na1 Cu3 O4\n1.0\n2.727234 -5.435249 0.000000\n2.727234 5.435249 0.000000\n0.000000 0.000000 3.449957\nNa Cu O\n1 3 4\ndirect\n0.000000 0.000000 0.500000 Na\n0.243000 0.757000 0.000000 Cu\n0.757000 0.243000 0.000000 Cu\n0.500000 0.500000 0.000000 Cu\n0.391480 0.131085 0.000000 O\n0.868915 0.608520 0.000000 O\n0.131085 0.391480 0.000000 O\n0.608520 0.868915 0.000000 O\n",
            "nsites": 8,
            "nelements": 3,
            "elements": [
                "Na",
                "Cu",
                "O"
            ],
            "chemical_system": "Cu-Na-O",
            "density": 4.507364933047347,
            "density_atomic": 0.07821759564199861,
            "volume": 102.27877671689046,
            "volume_molar": 7.6992148768715625,
            "formula_full": "Na1 Cu3 O4",
            "formula_reduced": "NaCu3O4",
            "formula_anonymous": "AB3C4",
            "energy": -42.11145554,
            "energy_per_atom": -5.2639319425,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -39.36345554,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0003995,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:36.155000Z",
            "spacegroup": 65
        },
        {
            "id": "mp-1216946",
            "created_at": "2022-09-04T14:44:12.916045Z",
            "structure_string": "Ti4 Mn4 Cr4\n1.0\n2.402505 -4.169886 0.000000\n2.402505 4.169886 0.000000\n0.000000 0.000000 7.828565\nTi Mn Cr\n4 4 4\ndirect\n0.333419 0.666581 0.189707 Ti\n0.666646 0.333354 0.314102 Ti\n0.666646 0.333354 0.685898 Ti\n0.333419 0.666581 0.810293 Ti\n0.829961 0.170039 0.000000 Mn\n0.173137 0.344776 0.500000 Mn\n0.655224 0.826863 0.500000 Mn\n0.172275 0.827725 0.500000 Mn\n0.998697 0.001303 0.256171 Cr\n0.998697 0.001303 0.743829 Cr\n0.831185 0.659252 0.000000 Cr\n0.340748 0.168815 0.000000 Cr\n",
            "nsites": 12,
            "nelements": 3,
            "elements": [
                "Ti",
                "Mn",
                "Cr"
            ],
            "chemical_system": "Cr-Mn-Ti",
            "density": 6.555149754734453,
            "density_atomic": 0.07650337703806859,
            "volume": 156.8558208094359,
            "volume_molar": 7.871731932831334,
            "formula_full": "Ti4 Mn4 Cr4",
            "formula_reduced": "TiMnCr",
            "formula_anonymous": "ABC",
            "energy": -109.12177919,
            "energy_per_atom": -9.093481599166667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -109.12177919,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.5848913,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:31.169000Z",
            "spacegroup": 38
        },
        {
            "id": "mp-1219465",
            "created_at": "2022-09-04T14:44:12.919448Z",
            "structure_string": "Sm4 Re12 O60\n1.0\n8.741884 0.000000 0.000000\n0.000000 11.618509 0.000000\n0.000000 0.000000 14.790015\nSm Re O\n4 12 60\ndirect\n0.768839 0.723166 0.827526 Sm\n0.231161 0.223166 0.172474 Sm\n0.268839 0.223166 0.672474 Sm\n0.731161 0.723166 0.327526 Sm\n0.806751 0.862023 0.583167 Re\n0.193249 0.362023 0.416833 Re\n0.306751 0.362023 0.916833 Re\n0.693249 0.862023 0.083167 Re\n0.603433 0.464871 0.671593 Re\n0.396567 0.964871 0.328407 Re\n0.103433 0.964871 0.828407 Re\n0.896567 0.464871 0.171593 Re\n0.600674 0.051741 0.819479 Re\n0.399326 0.551741 0.180521 Re\n0.100674 0.551741 0.680521 Re\n0.899326 0.051741 0.319479 Re\n0.547798 0.529027 0.570921 O\n0.452202 0.029027 0.429079 O\n0.047798 0.029027 0.929079 O\n0.952202 0.529027 0.070921 O\n0.726390 0.994253 0.609294 O\n0.273610 0.494253 0.390706 O\n0.226390 0.494253 0.890706 O\n0.773610 0.994253 0.109294 O\n0.006991 0.693120 0.920220 O\n0.993009 0.193120 0.079780 O\n0.506991 0.193120 0.579780 O\n0.493009 0.693120 0.420220 O\n0.753657 0.763232 0.668219 O\n0.246343 0.263232 0.331781 O\n0.253657 0.263232 0.831781 O\n0.746343 0.763232 0.168219 O\n0.626846 0.569284 0.758282 O\n0.373154 0.069284 0.241718 O\n0.126846 0.069284 0.741718 O\n0.873154 0.569284 0.258282 O\n0.746693 0.551191 0.931692 O\n0.253307 0.051191 0.068308 O\n0.246693 0.051191 0.568308 O\n0.753307 0.551191 0.431692 O\n0.632888 0.901087 0.811251 O\n0.367112 0.401087 0.188749 O\n0.132888 0.401087 0.688749 O\n0.867112 0.901087 0.311251 O\n0.776539 0.396386 0.654219 O\n0.223461 0.896386 0.345781 O\n0.276539 0.896386 0.845781 O\n0.723461 0.396386 0.154219 O\n0.004062 0.876171 0.583181 O\n0.995938 0.376171 0.416819 O\n0.504062 0.376171 0.916819 O\n0.495938 0.876171 0.083181 O\n0.035762 0.360559 0.202607 O\n0.964238 0.860559 0.797393 O\n0.535762 0.860559 0.297393 O\n0.464238 0.360559 0.702607 O\n0.493912 0.709416 0.882274 O\n0.506088 0.209416 0.117726 O\n0.993912 0.209416 0.617726 O\n0.006088 0.709416 0.382274 O\n0.541297 0.083817 0.928383 O\n0.458703 0.583817 0.071617 O\n0.041297 0.583817 0.571617 O\n0.958703 0.083817 0.428383 O\n0.740763 0.810944 0.475755 O\n0.259237 0.310944 0.524245 O\n0.240763 0.310944 0.024245 O\n0.759237 0.810944 0.975755 O\n0.771826 0.123038 0.800968 O\n0.228174 0.623038 0.199032 O\n0.271826 0.623038 0.699032 O\n0.728174 0.123038 0.300968 O\n0.459812 0.100577 0.741349 O\n0.540188 0.600577 0.258651 O\n0.959812 0.600577 0.758651 O\n0.040188 0.100577 0.241349 O\n",
            "nsites": 76,
            "nelements": 3,
            "elements": [
                "Sm",
                "Re",
                "O"
            ],
            "chemical_system": "O-Re-Sm",
            "density": 4.196028552405631,
            "density_atomic": 0.05059289600764467,
            "volume": 1502.1871843137083,
            "volume_molar": 11.903135094480545,
            "formula_full": "Sm4 Re12 O60",
            "formula_reduced": "Sm(ReO5)3",
            "formula_anonymous": "AB3C15",
            "energy": -598.49429725,
            "energy_per_atom": -7.87492496381579,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -557.27429725,
            "band_gap": 0.4797000000000002,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 24.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:32.603000Z",
            "spacegroup": 33
        },
        {
            "id": "mp-1187280",
            "created_at": "2022-09-04T14:44:12.928946Z",
            "structure_string": "Ta6 Cr2 Se12\n1.0\n3.004783 -5.204437 0.000000\n3.004783 5.204437 0.000000\n0.000000 0.000000 12.900586\nTa Cr Se\n6 2 12\ndirect\n0.000000 0.000000 0.000000 Ta\n0.666667 0.333333 0.999674 Ta\n0.333333 0.666667 0.499674 Ta\n0.000000 0.000000 0.500000 Ta\n0.333333 0.666667 0.000326 Ta\n0.666667 0.333333 0.500326 Ta\n0.666667 0.333333 0.750000 Cr\n0.333333 0.666667 0.250000 Cr\n0.672011 0.666183 0.130445 Se\n0.327989 0.333817 0.630445 Se\n0.666183 0.672011 0.869555 Se\n0.327989 0.994172 0.869555 Se\n0.005828 0.672011 0.630445 Se\n0.005828 0.333817 0.869555 Se\n0.994172 0.666183 0.369555 Se\n0.333817 0.327989 0.369555 Se\n0.672011 0.005828 0.369555 Se\n0.994172 0.327989 0.130445 Se\n0.666183 0.994172 0.630445 Se\n0.333817 0.005828 0.130445 Se\n",
            "nsites": 20,
            "nelements": 3,
            "elements": [
                "Ta",
                "Cr",
                "Se"
            ],
            "chemical_system": "Cr-Se-Ta",
            "density": 8.795648272630862,
            "density_atomic": 0.049568262099276506,
            "volume": 403.48398658689143,
            "volume_molar": 12.14918680816106,
            "formula_full": "Ta6 Cr2 Se12",
            "formula_reduced": "Ta3CrSe6",
            "formula_anonymous": "AB3C6",
            "energy": -153.20661977999998,
            "energy_per_atom": -7.660330988999999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -147.54261978,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 6.0335889,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:31.584000Z",
            "spacegroup": 182
        },
        {
            "id": "mp-972551",
            "created_at": "2022-09-04T14:44:13.352718Z",
            "structure_string": "U6 Nb2\n1.0\n2.965359 -5.136152 0.000000\n2.965359 5.136152 0.000000\n0.000000 0.000000 5.475490\nU Nb\n6 2\ndirect\n0.822821 0.177179 0.750000 U\n0.354359 0.177179 0.750000 U\n0.822821 0.645641 0.750000 U\n0.177179 0.822821 0.250000 U\n0.645641 0.822821 0.250000 U\n0.177179 0.354359 0.250000 U\n0.666667 0.333333 0.250000 Nb\n0.333333 0.666667 0.750000 Nb\n",
            "nsites": 8,
            "nelements": 2,
            "elements": [
                "U",
                "Nb"
            ],
            "chemical_system": "Nb-U",
            "density": 16.068701668754734,
            "density_atomic": 0.04796471350945182,
            "volume": 166.789279340187,
            "volume_molar": 12.555356468069576,
            "formula_full": "U6 Nb2",
            "formula_reduced": "U3Nb",
            "formula_anonymous": "AB3",
            "energy": -85.2189538,
            "energy_per_atom": -10.652369225,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -85.2189538,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.2872577,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:27.535000Z",
            "spacegroup": 194
        },
        {
            "id": "mp-1201143",
            "created_at": "2022-09-04T14:44:12.903613Z",
            "structure_string": "As4 Cl4 O4 F32\n1.0\n5.375914 0.000000 0.000000\n0.000000 8.294725 0.000000\n0.000000 0.000000 15.038974\nAs Cl O F\n4 4 4 32\ndirect\n0.388183 0.941972 0.402068 As\n0.611817 0.441972 0.597932 As\n0.888183 0.441972 0.097932 As\n0.111817 0.941972 0.902068 As\n0.125748 0.488136 0.386800 Cl\n0.874252 0.988136 0.613200 Cl\n0.625748 0.988136 0.113200 Cl\n0.374252 0.488136 0.886800 Cl\n0.337919 0.472337 0.334193 O\n0.662081 0.972337 0.665807 O\n0.837919 0.972337 0.165807 O\n0.162081 0.472337 0.834193 O\n0.122875 0.978107 0.336768 F\n0.877125 0.478107 0.663232 F\n0.622875 0.478107 0.163232 F\n0.377125 0.978107 0.836768 F\n0.529249 0.833362 0.315158 F\n0.470751 0.333362 0.684842 F\n0.029249 0.333362 0.184842 F\n0.970751 0.833362 0.815158 F\n0.526011 0.122698 0.366887 F\n0.473989 0.622698 0.633113 F\n0.026011 0.622698 0.133113 F\n0.973989 0.122698 0.866887 F\n0.248561 0.756264 0.441311 F\n0.751439 0.256264 0.558689 F\n0.748561 0.256264 0.058689 F\n0.251439 0.756264 0.941311 F\n0.247337 0.040590 0.494126 F\n0.752663 0.540590 0.505874 F\n0.747337 0.540590 0.005874 F\n0.252663 0.040590 0.994126 F\n0.654132 0.900033 0.471179 F\n0.345868 0.400033 0.528821 F\n0.154132 0.400033 0.028821 F\n0.845868 0.900033 0.971179 F\n0.915688 0.581031 0.327465 F\n0.084312 0.081031 0.672535 F\n0.415688 0.081031 0.172535 F\n0.584312 0.581031 0.827465 F\n0.980723 0.315440 0.380472 F\n0.019277 0.815440 0.619528 F\n0.480723 0.815440 0.119528 F\n0.519277 0.315440 0.880472 F\n",
            "nsites": 44,
            "nelements": 4,
            "elements": [
                "As",
                "Cl",
                "O",
                "F"
            ],
            "chemical_system": "As-Cl-F-O",
            "density": 2.7570542742143185,
            "density_atomic": 0.06561152970012515,
            "volume": 670.6138418217076,
            "volume_molar": 9.178479434215223,
            "formula_full": "As4 Cl4 O4 F32",
            "formula_reduced": "AsClOF8",
            "formula_anonymous": "ABCD8",
            "energy": -185.07252338,
            "energy_per_atom": -4.206193713181818,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -167.54052338,
            "band_gap": 2.8596,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0001728,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:28.831000Z",
            "spacegroup": 33
        },
        {
            "id": "mp-721901",
            "created_at": "2022-09-04T14:44:12.949816Z",
            "structure_string": "K8 B16 H32 O44\n1.0\n6.956752 0.000000 0.000000\n0.000000 11.786422 0.000000\n0.000000 0.000000 13.063829\nK B H O\n8 16 32 44\ndirect\n0.031000 0.077346 0.615918 K\n0.285007 0.653279 0.538823 K\n0.785007 0.846721 0.461177 K\n0.531000 0.422654 0.384082 K\n0.469000 0.922654 0.115918 K\n0.214993 0.346721 0.038823 K\n0.714993 0.153279 0.961177 K\n0.969000 0.577346 0.884082 K\n0.636578 0.835523 0.707951 B\n0.599987 0.043356 0.700480 B\n0.536945 0.432402 0.655225 B\n0.218099 0.348115 0.618322 B\n0.718099 0.151885 0.381678 B\n0.036945 0.067598 0.344775 B\n0.099987 0.456644 0.299520 B\n0.136578 0.664477 0.292049 B\n0.863422 0.164477 0.207951 B\n0.900013 0.956644 0.200480 B\n0.963055 0.567598 0.155225 B\n0.281901 0.651885 0.118322 B\n0.781901 0.848115 0.881678 B\n0.463055 0.932402 0.844775 B\n0.400013 0.543356 0.799520 B\n0.363422 0.335523 0.792049 B\n0.022703 0.831587 0.702964 H\n0.595427 0.217271 0.684247 H\n0.247163 0.846044 0.695044 H\n0.599328 0.674375 0.660033 H\n0.893471 0.530183 0.644204 H\n0.915587 0.659167 0.660589 H\n0.785809 0.375457 0.584337 H\n0.599806 0.163567 0.520785 H\n0.099806 0.336433 0.479215 H\n0.285809 0.124543 0.415663 H\n0.415587 0.840833 0.339411 H\n0.393471 0.969817 0.355796 H\n0.099328 0.825625 0.339967 H\n0.747163 0.653956 0.304956 H\n0.095427 0.282729 0.315753 H\n0.522703 0.668413 0.297036 H\n0.477297 0.168413 0.202964 H\n0.252837 0.153956 0.195044 H\n0.904573 0.782729 0.184247 H\n0.900672 0.325625 0.160033 H\n0.606529 0.469817 0.144204 H\n0.584413 0.340833 0.160589 H\n0.714191 0.624543 0.084337 H\n0.900194 0.836433 0.020785 H\n0.400194 0.663567 0.979215 H\n0.214191 0.875457 0.915663 H\n0.084413 0.159167 0.839411 H\n0.106529 0.030183 0.855796 H\n0.400672 0.174375 0.839967 H\n0.404573 0.717271 0.815753 H\n0.752837 0.346044 0.804956 H\n0.977297 0.331587 0.797036 H\n0.545665 0.340492 0.731895 O\n0.200994 0.311872 0.718376 O\n0.502279 0.543830 0.709032 O\n0.988305 0.588340 0.667782 O\n0.671586 0.946473 0.656597 O\n0.635750 0.144314 0.648785 O\n0.126925 0.844623 0.652965 O\n0.631281 0.748596 0.629048 O\n0.713935 0.445611 0.596031 O\n0.371175 0.411732 0.584084 O\n0.074412 0.313565 0.551575 O\n0.574412 0.186435 0.448425 O\n0.871175 0.088268 0.415916 O\n0.213935 0.054389 0.403969 O\n0.131281 0.751404 0.370952 O\n0.626925 0.655377 0.347035 O\n0.135750 0.355686 0.351215 O\n0.171586 0.553527 0.343403 O\n0.488305 0.911660 0.332218 O\n0.002279 0.956170 0.290968 O\n0.700994 0.188128 0.281624 O\n0.045665 0.159508 0.268105 O\n0.954335 0.659508 0.231895 O\n0.299006 0.688128 0.218376 O\n0.997721 0.456170 0.209032 O\n0.511695 0.411660 0.167782 O\n0.828414 0.053527 0.156597 O\n0.864250 0.855686 0.148785 O\n0.373075 0.155377 0.152965 O\n0.868719 0.251404 0.129048 O\n0.786065 0.554389 0.096031 O\n0.128825 0.588268 0.084084 O\n0.425588 0.686435 0.051575 O\n0.925588 0.813565 0.948425 O\n0.628825 0.911732 0.915916 O\n0.286065 0.945611 0.903969 O\n0.368719 0.248596 0.870952 O\n0.873075 0.344623 0.847035 O\n0.364250 0.644314 0.851215 O\n0.328414 0.446473 0.843403 O\n0.011695 0.088340 0.832218 O\n0.497721 0.043830 0.790968 O\n0.799006 0.811872 0.781624 O\n0.454335 0.840492 0.768105 O\n",
            "nsites": 100,
            "nelements": 4,
            "elements": [
                "K",
                "B",
                "H",
                "O"
            ],
            "chemical_system": "B-H-K-O",
            "density": 1.8943393589884931,
            "density_atomic": 0.09335573551447514,
            "volume": 1071.1714652443036,
            "volume_molar": 6.450745341796644,
            "formula_full": "K8 B16 H32 O44",
            "formula_reduced": "K2B4H8O11",
            "formula_anonymous": "A2B4C8D11",
            "energy": -648.15920359,
            "energy_per_atom": -6.481592035899999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -617.93120359,
            "band_gap": 5.2011,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:39.288000Z",
            "spacegroup": 19
        },
        {
            "id": "mp-989531",
            "created_at": "2022-09-04T14:44:13.070542Z",
            "structure_string": "Cs2 K1 Ga1 F6\n1.0\n0.000000 4.578620 4.578620\n4.578620 0.000000 4.578620\n4.578620 4.578620 0.000000\nCs K Ga F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Ga\n0.211891 0.788109 0.788109 F\n0.211891 0.788109 0.211891 F\n0.788109 0.211891 0.788109 F\n0.788109 0.788109 0.211891 F\n0.211891 0.211891 0.788109 F\n0.788109 0.211891 0.211891 F\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "Cs",
                "K",
                "Ga",
                "F"
            ],
            "chemical_system": "Cs-F-Ga-K",
            "density": 4.226577819088365,
            "density_atomic": 0.05209142059810026,
            "volume": 191.97019173565585,
            "volume_molar": 11.560715163563085,
            "formula_full": "Cs2 K1 Ga1 F6",
            "formula_reduced": "Cs2KGaF6",
            "formula_anonymous": "ABC2D6",
            "energy": -48.1893942,
            "energy_per_atom": -4.81893942,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -45.4173942,
            "band_gap": 6.0476,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0027821,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:32.438000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-773508",
            "created_at": "2022-09-04T14:44:13.076412Z",
            "structure_string": "Li4 Cu3 Ni3 W2 O16\n1.0\n2.889394 5.186476 0.000000\n-2.889394 5.186476 0.000000\n0.000000 0.654294 9.840329\nLi Cu Ni W O\n4 3 3 2 16\ndirect\n0.663448 0.663448 0.908188 Li\n0.998903 0.998903 0.986585 Li\n0.007257 0.007257 0.487805 Li\n0.343541 0.343541 0.413601 Li\n0.838122 0.337339 0.211396 Cu\n0.337339 0.838122 0.211396 Cu\n0.168496 0.168496 0.712534 Cu\n0.829504 0.829504 0.215475 Ni\n0.662514 0.169784 0.712498 Ni\n0.169784 0.662514 0.712498 Ni\n0.687454 0.687454 0.489160 W\n0.338747 0.338747 0.978780 W\n0.823473 0.340200 0.584247 O\n0.531003 0.531003 0.333380 O\n0.663202 0.663202 0.118026 O\n0.002275 0.002275 0.298036 O\n0.003774 0.003774 0.798885 O\n0.340200 0.823473 0.584247 O\n0.980606 0.528556 0.364765 O\n0.528556 0.980606 0.364765 O\n0.153324 0.153324 0.092992 O\n0.827831 0.827831 0.599214 O\n0.468983 0.033922 0.850877 O\n0.033922 0.468983 0.850877 O\n0.329917 0.329917 0.618358 O\n0.641567 0.143376 0.078686 O\n0.484441 0.484441 0.851719 O\n0.143376 0.641567 0.078686 O\n",
            "nsites": 28,
            "nelements": 5,
            "elements": [
                "Li",
                "Cu",
                "Ni",
                "W",
                "O"
            ],
            "chemical_system": "Cu-Li-Ni-O-W",
            "density": 5.732488846868062,
            "density_atomic": 0.09493782494698613,
            "volume": 294.9298661059001,
            "volume_molar": 6.3432470286345835,
            "formula_full": "Li4 Cu3 Ni3 W2 O16",
            "formula_reduced": "Li4Cu3Ni3(WO8)2",
            "formula_anonymous": "A2B3C3D4E16",
            "energy": -187.80412734,
            "energy_per_atom": -6.707290262142857,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -160.31312734,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 6.4376022,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:29.550000Z",
            "spacegroup": 8
        },
        {
            "id": "mp-23053",
            "created_at": "2022-09-04T14:44:13.086426Z",
            "structure_string": "Pb4 I4 Cl4\n1.0\n4.632378 0.000000 0.000000\n0.000000 8.330193 0.000000\n0.000000 0.000000 9.872184\nPb I Cl\n4 4 4\ndirect\n0.250000 0.203641 0.877391 Pb\n0.750000 0.796359 0.122609 Pb\n0.250000 0.703641 0.622609 Pb\n0.750000 0.296359 0.377391 Pb\n0.250000 0.967914 0.330301 I\n0.750000 0.532086 0.830301 I\n0.250000 0.467914 0.169699 I\n0.750000 0.032086 0.669699 I\n0.750000 0.139632 0.058176 Cl\n0.250000 0.360368 0.558176 Cl\n0.750000 0.639632 0.441824 Cl\n0.250000 0.860368 0.941824 Cl\n",
            "nsites": 12,
            "nelements": 3,
            "elements": [
                "Pb",
                "I",
                "Cl"
            ],
            "chemical_system": "Cl-I-Pb",
            "density": 6.443454688447287,
            "density_atomic": 0.031499883734933946,
            "volume": 380.9537870354671,
            "volume_molar": 19.117977738188717,
            "formula_full": "Pb4 I4 Cl4",
            "formula_reduced": "PbICl",
            "formula_anonymous": "ABC",
            "energy": -42.67670431,
            "energy_per_atom": -3.556392025833333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -38.70470431,
            "band_gap": 2.7162,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0005468,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:29.327000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-1009132",
            "created_at": "2022-09-04T14:44:13.100287Z",
            "structure_string": "Ho1 Bi1 Pd1\n1.0\n0.000000 3.356096 3.356096\n3.356096 0.000000 3.356096\n3.356096 3.356096 0.000000\nHo Bi Pd\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Ho\n0.000000 0.000000 0.000000 Bi\n0.250000 0.250000 0.250000 Pd\n",
            "nsites": 3,
            "nelements": 3,
            "elements": [
                "Ho",
                "Bi",
                "Pd"
            ],
            "chemical_system": "Bi-Ho-Pd",
            "density": 10.550094250962204,
            "density_atomic": 0.039681504838489534,
            "volume": 75.60197155351113,
            "volume_molar": 15.176190480958665,
            "formula_full": "Ho1 Bi1 Pd1",
            "formula_reduced": "HoBiPd",
            "formula_anonymous": "ABC",
            "energy": -16.44904695,
            "energy_per_atom": -5.48301565,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -16.44904695,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0008909,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:34.117000Z",
            "spacegroup": 216
        }
    ]
}