GET /third-parties/MatprojStructure/?format=api&ordering=-volume&page=25
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=-volume&page=26",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume&page=24",
    "results": [
        {
            "id": "mp-1080360",
            "created_at": "2022-09-04T14:42:40.966316Z",
            "structure_string": "Ce8 Se16\n1.0\n0.000000 12.806962 12.806962\n12.806962 0.000000 12.806962\n12.806962 12.806962 0.000000\nCe Se\n8 16\ndirect\n0.563576 0.309271 0.563576 Ce\n0.563576 0.563576 0.563576 Ce\n0.309271 0.563576 0.563576 Ce\n0.563576 0.563576 0.309271 Ce\n0.686424 0.940729 0.686424 Ce\n0.686424 0.686424 0.686424 Ce\n0.940729 0.686424 0.686424 Ce\n0.686424 0.686424 0.940729 Ce\n0.379474 0.620526 0.620526 Se\n0.379474 0.379474 0.620526 Se\n0.620526 0.379474 0.620526 Se\n0.620526 0.620526 0.379474 Se\n0.379474 0.620526 0.379474 Se\n0.620526 0.379474 0.379474 Se\n0.870526 0.629474 0.629474 Se\n0.870526 0.870526 0.629474 Se\n0.629474 0.870526 0.629474 Se\n0.629474 0.629474 0.870526 Se\n0.870526 0.629474 0.870526 Se\n0.629474 0.870526 0.870526 Se\n0.625000 0.125000 0.625000 Se\n0.625000 0.625000 0.625000 Se\n0.125000 0.625000 0.625000 Se\n0.625000 0.625000 0.125000 Se\n",
            "nsites": 24,
            "nelements": 2,
            "elements": [
                "Ce",
                "Se"
            ],
            "chemical_system": "Ce-Se",
            "density": 0.9424090587826423,
            "density_atomic": 0.00571271927631171,
            "volume": 4201.151647608189,
            "volume_molar": 105.41636073334345,
            "formula_full": "Ce8 Se16",
            "formula_reduced": "CeSe2",
            "formula_anonymous": "AB2",
            "energy": -137.138149,
            "energy_per_atom": -5.714089541666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -129.586149,
            "band_gap": 0.9831999999999996,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0045456,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:50.657000Z",
            "spacegroup": 227
        },
        {
            "id": "mp-1198905",
            "created_at": "2022-09-04T14:47:16.571079Z",
            "structure_string": "Cs48 Sn32 Ge4 O16\n1.0\n-12.271924 0.000000 6.631328\n0.129378 0.000000 -13.765037\n0.000000 -24.949282 0.000000\nCs Sn Ge O\n48 32 4 16\ndirect\n0.909280 0.443871 0.605629 Cs\n0.090720 0.056129 0.105629 Cs\n0.090720 0.556129 0.394371 Cs\n0.909280 0.943871 0.894371 Cs\n0.912572 0.228999 0.842684 Cs\n0.087428 0.271001 0.342684 Cs\n0.087428 0.771001 0.157316 Cs\n0.912572 0.728999 0.657316 Cs\n0.875812 0.378306 0.115963 Cs\n0.124188 0.121694 0.615963 Cs\n0.124188 0.621694 0.884037 Cs\n0.875812 0.878306 0.384037 Cs\n0.858636 0.137320 0.691688 Cs\n0.141364 0.362680 0.191688 Cs\n0.141364 0.862680 0.308312 Cs\n0.858636 0.637320 0.808312 Cs\n0.831051 0.408153 0.931300 Cs\n0.168949 0.091847 0.431300 Cs\n0.168949 0.591847 0.068700 Cs\n0.831051 0.908153 0.568700 Cs\n0.828985 0.209104 0.274349 Cs\n0.171015 0.290896 0.774349 Cs\n0.171015 0.790896 0.725651 Cs\n0.828985 0.709104 0.225651 Cs\n0.802241 0.985740 0.161893 Cs\n0.197759 0.514260 0.661893 Cs\n0.197759 0.014260 0.838107 Cs\n0.802241 0.485740 0.338107 Cs\n0.730118 0.336320 0.745486 Cs\n0.269882 0.163680 0.245486 Cs\n0.269882 0.663680 0.254514 Cs\n0.730118 0.836320 0.754514 Cs\n0.496707 0.215600 0.525089 Cs\n0.503293 0.284400 0.025089 Cs\n0.503293 0.784400 0.474911 Cs\n0.496707 0.715600 0.974911 Cs\n0.478365 0.400293 0.876068 Cs\n0.521635 0.099707 0.376068 Cs\n0.521635 0.599707 0.123932 Cs\n0.478365 0.900293 0.623932 Cs\n0.379771 0.156187 0.701510 Cs\n0.620229 0.343813 0.201510 Cs\n0.620229 0.843813 0.298490 Cs\n0.379771 0.656187 0.798490 Cs\n0.279639 0.454441 0.505792 Cs\n0.720361 0.045559 0.005792 Cs\n0.720361 0.545559 0.494208 Cs\n0.279639 0.954441 0.994208 Cs\n0.959726 0.217944 0.503790 Sn\n0.040274 0.282056 0.003790 Sn\n0.040274 0.782056 0.496210 Sn\n0.959726 0.717944 0.996210 Sn\n0.812029 0.795477 0.045762 Sn\n0.187971 0.704523 0.545762 Sn\n0.187971 0.204523 0.954238 Sn\n0.812029 0.295477 0.454238 Sn\n0.727953 0.129876 0.542680 Sn\n0.272047 0.370124 0.042680 Sn\n0.272047 0.870124 0.457320 Sn\n0.727953 0.629876 0.957320 Sn\n0.230151 0.434879 0.935035 Sn\n0.769849 0.065121 0.435035 Sn\n0.769849 0.565121 0.064965 Sn\n0.230151 0.934879 0.564965 Sn\n0.547958 0.140233 0.874211 Sn\n0.452042 0.359767 0.374211 Sn\n0.452042 0.859767 0.125789 Sn\n0.547958 0.640233 0.625789 Sn\n0.521887 0.009399 0.771646 Sn\n0.478113 0.490600 0.271646 Sn\n0.478113 0.990600 0.228354 Sn\n0.521887 0.509400 0.728354 Sn\n0.626062 0.969984 0.865056 Sn\n0.373938 0.530016 0.365056 Sn\n0.373938 0.030016 0.134944 Sn\n0.626062 0.469984 0.634944 Sn\n0.391825 0.899879 0.869670 Sn\n0.608175 0.600121 0.369670 Sn\n0.608175 0.100121 0.130330 Sn\n0.391825 0.399879 0.630330 Sn\n0.991318 0.008739 0.259207 Ge\n0.008682 0.491261 0.759207 Ge\n0.008682 0.991261 0.740793 Ge\n0.991318 0.508739 0.240793 Ge\n0.976923 0.362502 0.726703 O\n0.023077 0.137498 0.226703 O\n0.023077 0.637498 0.273297 O\n0.976923 0.862502 0.773297 O\n0.964394 0.069769 0.782257 O\n0.035606 0.430231 0.282257 O\n0.035606 0.930231 0.217743 O\n0.964394 0.569769 0.717743 O\n0.934960 0.462467 0.822237 O\n0.065040 0.037533 0.322237 O\n0.065040 0.537533 0.177763 O\n0.934960 0.962467 0.677763 O\n0.845042 0.426376 0.230671 O\n0.154958 0.073624 0.730671 O\n0.154958 0.573624 0.769329 O\n0.845042 0.926376 0.269329 O\n",
            "nsites": 100,
            "nelements": 4,
            "elements": [
                "Cs",
                "Sn",
                "Ge",
                "O"
            ],
            "chemical_system": "Cs-Ge-O-Sn",
            "density": 4.247161960190742,
            "density_atomic": 0.023848621062163237,
            "volume": 4193.114551124043,
            "volume_molar": 25.251526049673206,
            "formula_full": "Cs48 Sn32 Ge4 O16",
            "formula_reduced": "Cs12Sn8GeO4",
            "formula_anonymous": "AB4C8D12",
            "energy": -355.55503791,
            "energy_per_atom": -3.5555503791,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -344.56303791,
            "band_gap": 1.3041,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:58.891000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1179832",
            "created_at": "2022-09-04T14:42:54.098237Z",
            "structure_string": "Rb8\n1.0\n-13.000871 13.000871 6.192701\n13.000871 -13.000871 6.192701\n13.000871 13.000871 -6.192701\nRb\n8\ndirect\n0.210183 0.086187 0.296370 Rb\n0.086187 0.789817 0.876005 Rb\n0.210183 0.913813 0.123995 Rb\n0.789817 0.913813 0.703630 Rb\n0.789817 0.086187 0.876005 Rb\n0.086187 0.210183 0.296370 Rb\n0.913813 0.210183 0.123995 Rb\n0.913813 0.789817 0.703630 Rb\n",
            "nsites": 8,
            "nelements": 1,
            "elements": [
                "Rb"
            ],
            "chemical_system": "Rb",
            "density": 0.27117934564032864,
            "density_atomic": 0.0019107549173081662,
            "volume": 4186.826854419531,
            "volume_molar": 315.17075818828056,
            "formula_full": "Rb8",
            "formula_reduced": "Rb",
            "formula_anonymous": "A",
            "energy": -4.22407837,
            "energy_per_atom": -0.52800979625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -4.22407837,
            "band_gap": 0.1102999999999998,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 1.8808979,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:55.898000Z",
            "spacegroup": 139
        },
        {
            "id": "mp-1210439",
            "created_at": "2022-09-04T14:48:24.084190Z",
            "structure_string": "Sm2 Ga12\n1.0\n17.851547 0.000000 0.000000\n0.000000 17.851547 0.000000\n0.000000 0.000000 13.106840\nSm Ga\n2 12\ndirect\n0.000000 0.500000 0.000000 Sm\n0.500000 0.000000 0.000000 Sm\n0.000000 0.892156 0.402774 Ga\n0.000000 0.107844 0.402774 Ga\n0.892156 0.000000 0.402774 Ga\n0.107844 0.000000 0.597226 Ga\n0.000000 0.107844 0.597226 Ga\n0.107844 0.000000 0.402774 Ga\n0.892156 0.000000 0.597226 Ga\n0.000000 0.892156 0.597226 Ga\n0.500000 0.000000 0.218800 Ga\n0.000000 0.500000 0.218800 Ga\n0.000000 0.500000 0.781200 Ga\n0.500000 0.000000 0.781200 Ga\n",
            "nsites": 14,
            "nelements": 2,
            "elements": [
                "Sm",
                "Ga"
            ],
            "chemical_system": "Ga-Sm",
            "density": 0.45217972026178166,
            "density_atomic": 0.0033518017429680436,
            "volume": 4176.858022516243,
            "volume_molar": 179.66876390091474,
            "formula_full": "Sm2 Ga12",
            "formula_reduced": "SmGa6",
            "formula_anonymous": "AB6",
            "energy": -26.18422238,
            "energy_per_atom": -1.8703015985714286,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -26.18422238,
            "band_gap": 0.1123000000000002,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 4.1774394,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:39:28.709000Z",
            "spacegroup": 123
        },
        {
            "id": "mp-723248",
            "created_at": "2022-09-04T14:40:17.344437Z",
            "structure_string": "Re20 H16 C80 O80\n1.0\n19.675408 0.000000 0.000000\n0.000000 9.944086 0.000000\n0.000000 4.153934 21.307699\nRe H C O\n20 16 80 80\ndirect\n0.609110 0.208098 0.716594 Re\n0.109110 0.791902 0.783406 Re\n0.390890 0.791902 0.283406 Re\n0.890890 0.208098 0.216594 Re\n0.485568 0.152499 0.832515 Re\n0.985568 0.847501 0.667485 Re\n0.514432 0.847501 0.167485 Re\n0.014432 0.152499 0.332515 Re\n0.433058 0.839930 0.831967 Re\n0.933058 0.160070 0.668033 Re\n0.566942 0.160070 0.168033 Re\n0.066942 0.839930 0.331967 Re\n0.433211 0.819245 0.690000 Re\n0.933211 0.180755 0.810000 Re\n0.566789 0.180755 0.310000 Re\n0.066789 0.819245 0.190000 Re\n0.582910 0.940452 0.639666 Re\n0.082910 0.059548 0.860334 Re\n0.417090 0.059548 0.360334 Re\n0.917090 0.940452 0.139666 Re\n0.526402 0.164397 0.755400 H\n0.026402 0.835603 0.744600 H\n0.473598 0.835603 0.244600 H\n0.973598 0.164397 0.255400 H\n0.463640 0.009111 0.792260 H\n0.963640 0.990889 0.707740 H\n0.536360 0.990889 0.207740 H\n0.036360 0.009111 0.292260 H\n0.520261 0.876918 0.702189 H\n0.020261 0.123082 0.797811 H\n0.479739 0.123082 0.297811 H\n0.979739 0.876918 0.202189 H\n0.571734 0.048660 0.699644 H\n0.071734 0.951340 0.800356 H\n0.428266 0.951340 0.300356 H\n0.928266 0.048660 0.199644 H\n0.669327 0.086732 0.777569 C\n0.169327 0.913268 0.722431 C\n0.330673 0.913268 0.222431 C\n0.830673 0.086732 0.277569 C\n0.633098 0.365793 0.753528 C\n0.133098 0.634207 0.746472 C\n0.366902 0.634207 0.246472 C\n0.866902 0.365793 0.253528 C\n0.684011 0.259127 0.658491 C\n0.184011 0.740873 0.841509 C\n0.315989 0.740873 0.341509 C\n0.815989 0.259127 0.158491 C\n0.546765 0.319468 0.653941 C\n0.046765 0.680532 0.846059 C\n0.453235 0.680532 0.346059 C\n0.953235 0.319468 0.153941 C\n0.555145 0.042782 0.888855 C\n0.055145 0.957218 0.611145 C\n0.444855 0.957218 0.111145 C\n0.944855 0.042782 0.388855 C\n0.418661 0.133336 0.899573 C\n0.918661 0.866664 0.600427 C\n0.581339 0.866664 0.100427 C\n0.081339 0.133336 0.399573 C\n0.517505 0.318712 0.858213 C\n0.017505 0.681288 0.641787 C\n0.482495 0.681288 0.141787 C\n0.982495 0.318712 0.358213 C\n0.416400 0.262948 0.776239 C\n0.916400 0.737052 0.723761 C\n0.583600 0.737052 0.223761 C\n0.083600 0.262948 0.276239 C\n0.529046 0.774825 0.828244 C\n0.029046 0.225175 0.671756 C\n0.470954 0.225175 0.171756 C\n0.970954 0.774825 0.328244 C\n0.398372 0.652520 0.841752 C\n0.898372 0.347480 0.658248 C\n0.601628 0.347480 0.158248 C\n0.101628 0.652520 0.341752 C\n0.436806 0.819167 0.921566 C\n0.936806 0.180833 0.578434 C\n0.563194 0.180833 0.078434 C\n0.063194 0.819167 0.421566 C\n0.341221 0.924524 0.820415 C\n0.841221 0.075476 0.679585 C\n0.658779 0.075476 0.179585 C\n0.158779 0.924524 0.320415 C\n0.476837 0.637737 0.714041 C\n0.976837 0.362263 0.785959 C\n0.523163 0.362263 0.285959 C\n0.023163 0.637737 0.214041 C\n0.418390 0.809183 0.603725 C\n0.918390 0.190817 0.896275 C\n0.581610 0.190817 0.396275 C\n0.081610 0.809183 0.103725 C\n0.343141 0.742221 0.709811 C\n0.843141 0.257779 0.790189 C\n0.656859 0.257779 0.290189 C\n0.156859 0.742221 0.209811 C\n0.395346 0.008914 0.678525 C\n0.895346 0.991086 0.821475 C\n0.604654 0.991086 0.321475 C\n0.104654 0.008914 0.178525 C\n0.650465 0.830406 0.697873 C\n0.150465 0.169594 0.802127 C\n0.349535 0.169594 0.302127 C\n0.849535 0.830406 0.197873 C\n0.658421 0.018856 0.586394 C\n0.158421 0.981144 0.913606 C\n0.341579 0.981144 0.413606 C\n0.841579 0.018856 0.086394 C\n0.578160 0.787906 0.595407 C\n0.078160 0.212094 0.904593 C\n0.421840 0.212094 0.404593 C\n0.921840 0.787906 0.095407 C\n0.517433 0.055093 0.581171 C\n0.017433 0.944907 0.918829 C\n0.482567 0.944907 0.418829 C\n0.982567 0.055093 0.081171 C\n0.704761 0.016664 0.812218 O\n0.204761 0.983336 0.687782 O\n0.295239 0.983336 0.187782 O\n0.795239 0.016664 0.312218 O\n0.648867 0.460586 0.774128 O\n0.148867 0.539414 0.725872 O\n0.351133 0.539414 0.225872 O\n0.851133 0.460586 0.274128 O\n0.728360 0.297760 0.624194 O\n0.228360 0.702240 0.875806 O\n0.271640 0.702240 0.375806 O\n0.771640 0.297760 0.124194 O\n0.511791 0.384264 0.617028 O\n0.011791 0.615736 0.882972 O\n0.488209 0.615736 0.382972 O\n0.988209 0.384264 0.117028 O\n0.595174 0.982939 0.922300 O\n0.095174 0.017061 0.577700 O\n0.404826 0.017061 0.077700 O\n0.904826 0.982939 0.422300 O\n0.376313 0.126625 0.937391 O\n0.876313 0.873375 0.562609 O\n0.623687 0.873375 0.062609 O\n0.123687 0.126625 0.437391 O\n0.535121 0.416855 0.875362 O\n0.035121 0.583145 0.624638 O\n0.464879 0.583145 0.124638 O\n0.964879 0.416855 0.375362 O\n0.376978 0.331604 0.745720 O\n0.876978 0.668396 0.754280 O\n0.623022 0.668396 0.254280 O\n0.123022 0.331604 0.245720 O\n0.585050 0.740545 0.825826 O\n0.085050 0.259455 0.674174 O\n0.414950 0.259455 0.174174 O\n0.914950 0.740545 0.325826 O\n0.378107 0.540651 0.848021 O\n0.878107 0.459349 0.651979 O\n0.621893 0.459349 0.151979 O\n0.121893 0.540651 0.348021 O\n0.439422 0.802998 0.976285 O\n0.939422 0.197002 0.523715 O\n0.560578 0.197002 0.023715 O\n0.060578 0.802998 0.476285 O\n0.289657 0.981213 0.811458 O\n0.789657 0.018787 0.688542 O\n0.710343 0.018787 0.188542 O\n0.210343 0.981213 0.311458 O\n0.504435 0.534081 0.729834 O\n0.004435 0.465919 0.770166 O\n0.495565 0.465919 0.270166 O\n0.995565 0.534081 0.229834 O\n0.406969 0.801120 0.551850 O\n0.906969 0.198880 0.948150 O\n0.593031 0.198880 0.448150 O\n0.093031 0.801120 0.051850 O\n0.289963 0.692454 0.721550 O\n0.789963 0.307546 0.778450 O\n0.710037 0.307546 0.278450 O\n0.210037 0.692454 0.221550 O\n0.373921 0.119414 0.670121 O\n0.873921 0.880586 0.829879 O\n0.626079 0.880586 0.329879 O\n0.126079 0.119414 0.170121 O\n0.692048 0.768720 0.728558 O\n0.192048 0.231280 0.771442 O\n0.307952 0.231280 0.271442 O\n0.807952 0.768720 0.228558 O\n0.703173 0.062088 0.553494 O\n0.203173 0.937912 0.946506 O\n0.296827 0.937912 0.446506 O\n0.796827 0.062088 0.053494 O\n0.576925 0.693700 0.570991 O\n0.076925 0.306300 0.929009 O\n0.423075 0.306300 0.429009 O\n0.923075 0.693700 0.070991 O\n0.480105 0.121789 0.547079 O\n0.980105 0.878211 0.952921 O\n0.519895 0.878211 0.452921 O\n0.019895 0.121789 0.047079 O\n",
            "nsites": 196,
            "nelements": 4,
            "elements": [
                "Re",
                "H",
                "C",
                "O"
            ],
            "chemical_system": "C-H-O-Re",
            "density": 2.38233689704263,
            "density_atomic": 0.047014400187015463,
            "volume": 4168.9354585051515,
            "volume_molar": 12.809140893098553,
            "formula_full": "Re20 H16 C80 O80",
            "formula_reduced": "Re5H4(CO)20",
            "formula_anonymous": "A4B5C20D20",
            "energy": -1612.97368782,
            "energy_per_atom": -8.229457590918367,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1558.01368782,
            "band_gap": 1.0372,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 4.0009419,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:52.554000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-554564",
            "created_at": "2022-09-04T14:44:23.810237Z",
            "structure_string": "Ta16 Bi32 Br56 O16\n1.0\n14.993703 0.000000 0.000000\n0.000000 14.993703 0.000000\n0.000000 0.000000 18.526910\nTa Bi Br O\n16 32 56 16\ndirect\n0.148892 0.380937 0.500000 Ta\n0.000000 0.500000 0.136975 Ta\n0.500000 0.000000 0.363025 Ta\n0.500000 0.000000 0.136975 Ta\n0.880937 0.648892 0.000000 Ta\n0.000000 0.500000 0.636975 Ta\n0.619063 0.148892 0.500000 Ta\n0.380937 0.851108 0.500000 Ta\n0.500000 0.000000 0.863025 Ta\n0.351108 0.880937 0.000000 Ta\n0.000000 0.500000 0.863025 Ta\n0.500000 0.000000 0.636975 Ta\n0.119063 0.351108 0.000000 Ta\n0.000000 0.500000 0.363025 Ta\n0.851108 0.619063 0.500000 Ta\n0.648892 0.119063 0.000000 Ta\n0.904063 0.888874 0.331608 Bi\n0.008613 0.853094 0.813714 Bi\n0.388874 0.404063 0.831608 Bi\n0.111126 0.904063 0.331608 Bi\n0.008613 0.853094 0.186286 Bi\n0.491387 0.353094 0.313714 Bi\n0.646906 0.491387 0.313714 Bi\n0.111126 0.904063 0.668392 Bi\n0.991387 0.146906 0.186286 Bi\n0.853094 0.991387 0.186286 Bi\n0.508613 0.646906 0.313714 Bi\n0.095937 0.111126 0.668392 Bi\n0.904063 0.888874 0.668392 Bi\n0.853094 0.991387 0.813714 Bi\n0.388874 0.404063 0.168392 Bi\n0.404063 0.611126 0.168392 Bi\n0.146906 0.008613 0.813714 Bi\n0.888874 0.095937 0.331608 Bi\n0.646906 0.491387 0.686286 Bi\n0.146906 0.008613 0.186286 Bi\n0.404063 0.611126 0.831608 Bi\n0.611126 0.595937 0.168392 Bi\n0.595937 0.388874 0.831608 Bi\n0.611126 0.595937 0.831608 Bi\n0.595937 0.388874 0.168392 Bi\n0.508613 0.646906 0.686286 Bi\n0.353094 0.508613 0.313714 Bi\n0.095937 0.111126 0.331608 Bi\n0.491387 0.353094 0.686286 Bi\n0.991387 0.146906 0.813714 Bi\n0.888874 0.095937 0.668392 Bi\n0.353094 0.508613 0.686286 Bi\n0.611660 0.875667 0.852697 Br\n0.875667 0.388340 0.147303 Br\n0.244337 0.954226 0.500000 Br\n0.584339 0.084339 0.750000 Br\n0.375667 0.111660 0.352697 Br\n0.014274 0.752534 0.000000 Br\n0.454226 0.744337 0.000000 Br\n0.624333 0.888340 0.647303 Br\n0.415661 0.915661 0.750000 Br\n0.258098 0.809539 0.100631 Br\n0.741902 0.190461 0.100631 Br\n0.252534 0.514274 0.500000 Br\n0.545774 0.255663 0.000000 Br\n0.045774 0.244337 0.500000 Br\n0.611660 0.875667 0.147303 Br\n0.690461 0.241902 0.600631 Br\n0.758098 0.690461 0.399369 Br\n0.241902 0.309539 0.600631 Br\n0.747466 0.485726 0.500000 Br\n0.111660 0.624333 0.647303 Br\n0.888340 0.375667 0.352697 Br\n0.309539 0.758098 0.399369 Br\n0.111660 0.624333 0.352697 Br\n0.255663 0.454226 0.000000 Br\n0.741902 0.190461 0.899369 Br\n0.915661 0.584339 0.750000 Br\n0.888340 0.375667 0.647303 Br\n0.809539 0.741902 0.899369 Br\n0.985726 0.247466 0.000000 Br\n0.190461 0.258098 0.899369 Br\n0.415661 0.915661 0.250000 Br\n0.752534 0.985726 0.000000 Br\n0.584339 0.084339 0.250000 Br\n0.915661 0.584339 0.250000 Br\n0.247466 0.014274 0.000000 Br\n0.258098 0.809539 0.899369 Br\n0.375667 0.111660 0.647303 Br\n0.084339 0.415661 0.250000 Br\n0.624333 0.888340 0.352697 Br\n0.744337 0.545774 0.000000 Br\n0.190461 0.258098 0.100631 Br\n0.758098 0.690461 0.600631 Br\n0.875667 0.388340 0.852697 Br\n0.485726 0.252534 0.500000 Br\n0.124333 0.611660 0.147303 Br\n0.690461 0.241902 0.399369 Br\n0.954226 0.755663 0.500000 Br\n0.809539 0.741902 0.100631 Br\n0.388340 0.124333 0.147303 Br\n0.309539 0.758098 0.600631 Br\n0.084339 0.415661 0.750000 Br\n0.241902 0.309539 0.399369 Br\n0.388340 0.124333 0.852697 Br\n0.124333 0.611660 0.852697 Br\n0.514274 0.747466 0.500000 Br\n0.755663 0.045774 0.500000 Br\n0.063208 0.426080 0.926468 O\n0.936792 0.573920 0.926468 O\n0.436792 0.926080 0.426468 O\n0.936792 0.573920 0.073532 O\n0.926080 0.563208 0.573532 O\n0.073920 0.436792 0.426468 O\n0.563208 0.073920 0.573532 O\n0.436792 0.926080 0.573532 O\n0.926080 0.563208 0.426468 O\n0.563208 0.073920 0.426468 O\n0.426080 0.936792 0.926468 O\n0.426080 0.936792 0.073532 O\n0.073920 0.436792 0.573532 O\n0.573920 0.063208 0.073532 O\n0.573920 0.063208 0.926468 O\n0.063208 0.426080 0.073532 O\n",
            "nsites": 120,
            "nelements": 4,
            "elements": [
                "Ta",
                "Bi",
                "Br",
                "O"
            ],
            "chemical_system": "Bi-Br-O-Ta",
            "density": 5.706418512473721,
            "density_atomic": 0.02881114023488944,
            "volume": 4165.055566064808,
            "volume_molar": 20.90212574338646,
            "formula_full": "Ta16 Bi32 Br56 O16",
            "formula_reduced": "Ta2Bi4Br7O2",
            "formula_anonymous": "A2B2C4D7",
            "energy": -652.90981383,
            "energy_per_atom": -5.440915115249999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -612.01381383,
            "band_gap": 0.4864999999999999,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0001975,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:21.815000Z",
            "spacegroup": 128
        },
        {
            "id": "mp-1196581",
            "created_at": "2022-09-04T14:45:09.474104Z",
            "structure_string": "K48 P48 O144\n1.0\n16.080631 -0.000000 0.000000\n0.000000 16.080631 0.000000\n-0.000000 -0.000000 16.080631\nK P O\n48 48 144\ndirect\n-0.000000 0.500000 0.000000 K\n-0.000000 -0.000000 0.500000 K\n0.500000 0.500000 0.500000 K\n0.500000 -0.000000 0.000000 K\n-0.000000 -0.000000 0.000000 K\n-0.000000 0.500000 0.500000 K\n0.500000 -0.000000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.767539 0.232461 0.732461 K\n0.232461 0.732461 0.767539 K\n0.732461 0.767539 0.232461 K\n0.267539 0.267539 0.267539 K\n0.232461 0.767539 0.267539 K\n0.767539 0.267539 0.232461 K\n0.267539 0.232461 0.767539 K\n0.732461 0.732461 0.732461 K\n0.558557 0.256029 0.620023 K\n0.441443 0.756029 0.879977 K\n0.941443 0.743971 0.120023 K\n0.058557 0.243971 0.379977 K\n0.620023 0.558557 0.256029 K\n0.879977 0.441443 0.756029 K\n0.120023 0.941443 0.743971 K\n0.379977 0.058557 0.243971 K\n0.256029 0.620023 0.558557 K\n0.756029 0.879977 0.441443 K\n0.743971 0.120023 0.941443 K\n0.243971 0.379977 0.058557 K\n0.441443 0.743971 0.379977 K\n0.558557 0.243971 0.120023 K\n0.058557 0.256029 0.879977 K\n0.941443 0.756029 0.620023 K\n0.379977 0.441443 0.743971 K\n0.120023 0.558557 0.243971 K\n0.879977 0.058557 0.256029 K\n0.620023 0.941443 0.756029 K\n0.743971 0.379977 0.441443 K\n0.243971 0.120023 0.558557 K\n0.256029 0.879977 0.058557 K\n0.756029 0.620023 0.941443 K\n0.371685 0.628315 0.128315 K\n0.628315 0.128315 0.371685 K\n0.128315 0.371685 0.628315 K\n0.871685 0.871685 0.871685 K\n0.628315 0.371685 0.871685 K\n0.371685 0.871685 0.628315 K\n0.871685 0.628315 0.371685 K\n0.128315 0.128315 0.128315 K\n0.725611 0.078236 0.558748 P\n0.274389 0.578236 0.941252 P\n0.774389 0.921764 0.058748 P\n0.225611 0.421764 0.441252 P\n0.558748 0.725611 0.078236 P\n0.941252 0.274389 0.578236 P\n0.058748 0.774389 0.921764 P\n0.441252 0.225611 0.421764 P\n0.078236 0.558748 0.725611 P\n0.578236 0.941252 0.274389 P\n0.921764 0.058748 0.774389 P\n0.421764 0.441252 0.225611 P\n0.274389 0.921764 0.441252 P\n0.725611 0.421764 0.058748 P\n0.225611 0.078236 0.941252 P\n0.774389 0.578236 0.558748 P\n0.441252 0.274389 0.921764 P\n0.058748 0.725611 0.421764 P\n0.941252 0.225611 0.078236 P\n0.558748 0.774389 0.578236 P\n0.921764 0.441252 0.274389 P\n0.421764 0.058748 0.725611 P\n0.078236 0.941252 0.225611 P\n0.578236 0.558748 0.774389 P\n0.546096 0.154803 0.827879 P\n0.453904 0.654803 0.672121 P\n0.953904 0.845197 0.327879 P\n0.046096 0.345197 0.172121 P\n0.827879 0.546096 0.154803 P\n0.672121 0.453904 0.654803 P\n0.327879 0.953904 0.845197 P\n0.172121 0.046096 0.345197 P\n0.154803 0.827879 0.546096 P\n0.654803 0.672121 0.453904 P\n0.845197 0.327879 0.953904 P\n0.345197 0.172121 0.046096 P\n0.453904 0.845197 0.172121 P\n0.546096 0.345197 0.327879 P\n0.046096 0.154803 0.672121 P\n0.953904 0.654803 0.827879 P\n0.172121 0.453904 0.845197 P\n0.327879 0.546096 0.345197 P\n0.672121 0.046096 0.154803 P\n0.827879 0.953904 0.654803 P\n0.845197 0.172121 0.453904 P\n0.345197 0.327879 0.546096 P\n0.154803 0.672121 0.046096 P\n0.654803 0.827879 0.953904 P\n0.814723 0.094389 0.511545 O\n0.185277 0.594389 0.988455 O\n0.685277 0.905611 0.011545 O\n0.314723 0.405611 0.488455 O\n0.511545 0.814723 0.094389 O\n0.988455 0.185277 0.594389 O\n0.011545 0.685277 0.905611 O\n0.488455 0.314723 0.405611 O\n0.094389 0.511545 0.814723 O\n0.594389 0.988455 0.185277 O\n0.905611 0.011545 0.685277 O\n0.405611 0.488455 0.314723 O\n0.185277 0.905611 0.488455 O\n0.814723 0.405611 0.011545 O\n0.314723 0.094389 0.988455 O\n0.685277 0.594389 0.511545 O\n0.488455 0.185277 0.905611 O\n0.011545 0.814723 0.405611 O\n0.988455 0.314723 0.094389 O\n0.511545 0.685277 0.594389 O\n0.905611 0.488455 0.185277 O\n0.405611 0.011545 0.814723 O\n0.094389 0.988455 0.314723 O\n0.594389 0.511545 0.685277 O\n0.756025 0.023523 0.638442 O\n0.243975 0.523523 0.861558 O\n0.743975 0.976477 0.138442 O\n0.256025 0.476477 0.361558 O\n0.638442 0.756025 0.023523 O\n0.861558 0.243975 0.523523 O\n0.138442 0.743975 0.976477 O\n0.361558 0.256025 0.476477 O\n0.023523 0.638442 0.756025 O\n0.523523 0.861558 0.243975 O\n0.976477 0.138442 0.743975 O\n0.476477 0.361558 0.256025 O\n0.243975 0.976477 0.361558 O\n0.756025 0.476477 0.138442 O\n0.256025 0.023523 0.861558 O\n0.743975 0.523523 0.638442 O\n0.361558 0.243975 0.976477 O\n0.138442 0.756025 0.476477 O\n0.861558 0.256025 0.023523 O\n0.638442 0.743975 0.523523 O\n0.976477 0.361558 0.243975 O\n0.476477 0.138442 0.756025 O\n0.023523 0.861558 0.256025 O\n0.523523 0.638442 0.743975 O\n0.673252 0.024306 0.503489 O\n0.326748 0.524306 0.996511 O\n0.826748 0.975694 0.003489 O\n0.173252 0.475694 0.496511 O\n0.503489 0.673252 0.024306 O\n0.996511 0.326748 0.524306 O\n0.003489 0.826748 0.975694 O\n0.496511 0.173252 0.475694 O\n0.024306 0.503489 0.673252 O\n0.524306 0.996511 0.326748 O\n0.975694 0.003489 0.826748 O\n0.475694 0.496511 0.173252 O\n0.326748 0.975694 0.496511 O\n0.673252 0.475694 0.003489 O\n0.173252 0.024306 0.996511 O\n0.826748 0.524306 0.503489 O\n0.496511 0.326748 0.975694 O\n0.003489 0.673252 0.475694 O\n0.996511 0.173252 0.024306 O\n0.503489 0.826748 0.524306 O\n0.975694 0.496511 0.326748 O\n0.475694 0.003489 0.673252 O\n0.024306 0.996511 0.173252 O\n0.524306 0.503489 0.826748 O\n0.691558 0.158128 0.592472 O\n0.308441 0.658128 0.907528 O\n0.808442 0.841872 0.092472 O\n0.191558 0.341872 0.407528 O\n0.592472 0.691558 0.158128 O\n0.907528 0.308441 0.658128 O\n0.092472 0.808442 0.841872 O\n0.407528 0.191558 0.341872 O\n0.158128 0.592472 0.691558 O\n0.658128 0.907528 0.308441 O\n0.841872 0.092472 0.808442 O\n0.341872 0.407528 0.191558 O\n0.308441 0.841872 0.407528 O\n0.691558 0.341872 0.092472 O\n0.191558 0.158128 0.907528 O\n0.808442 0.658128 0.592472 O\n0.407528 0.308441 0.841872 O\n0.092472 0.691558 0.341872 O\n0.907528 0.191558 0.158128 O\n0.592472 0.808442 0.658128 O\n0.841872 0.407528 0.308441 O\n0.341872 0.092472 0.691558 O\n0.158128 0.907528 0.191558 O\n0.658128 0.592472 0.808442 O\n0.586705 0.075562 0.855524 O\n0.413295 0.575562 0.644476 O\n0.913295 0.924438 0.355524 O\n0.086705 0.424438 0.144476 O\n0.855524 0.586705 0.075562 O\n0.644476 0.413295 0.575562 O\n0.355524 0.913295 0.924438 O\n0.144476 0.086705 0.424438 O\n0.075562 0.855524 0.586705 O\n0.575562 0.644476 0.413295 O\n0.924438 0.355524 0.913295 O\n0.424438 0.144476 0.086705 O\n0.413295 0.924438 0.144476 O\n0.586705 0.424438 0.355524 O\n0.086705 0.075562 0.644476 O\n0.913295 0.575562 0.855524 O\n0.144476 0.413295 0.924438 O\n0.355524 0.586705 0.424438 O\n0.644476 0.086705 0.075562 O\n0.855524 0.913295 0.575562 O\n0.924438 0.144476 0.413295 O\n0.424438 0.355524 0.586705 O\n0.075562 0.644476 0.086705 O\n0.575562 0.855524 0.913295 O\n0.599271 0.224701 0.795980 O\n0.400729 0.724701 0.704020 O\n0.900729 0.775299 0.295980 O\n0.099271 0.275299 0.204020 O\n0.795980 0.599271 0.224701 O\n0.704020 0.400729 0.724701 O\n0.295980 0.900729 0.775299 O\n0.204020 0.099271 0.275299 O\n0.224701 0.795980 0.599271 O\n0.724701 0.704020 0.400729 O\n0.775299 0.295980 0.900729 O\n0.275299 0.204020 0.099271 O\n0.400729 0.775299 0.204020 O\n0.599271 0.275299 0.295980 O\n0.099271 0.224701 0.704020 O\n0.900729 0.724701 0.795980 O\n0.204020 0.400729 0.775299 O\n0.295980 0.599271 0.275299 O\n0.704020 0.099271 0.224701 O\n0.795980 0.900729 0.724701 O\n0.775299 0.204020 0.400729 O\n0.275299 0.295980 0.599271 O\n0.224701 0.704020 0.099271 O\n0.724701 0.795980 0.900729 O\n",
            "nsites": 240,
            "nelements": 3,
            "elements": [
                "K",
                "P",
                "O"
            ],
            "chemical_system": "K-O-P",
            "density": 2.2631930601033488,
            "density_atomic": 0.0577167652075994,
            "volume": 4158.237197402738,
            "volume_molar": 10.433954048427998,
            "formula_full": "K48 P48 O144",
            "formula_reduced": "KPO3",
            "formula_anonymous": "ABC3",
            "energy": -1668.9414864900002,
            "energy_per_atom": -6.953922860375001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1570.01348649,
            "band_gap": 5.056,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.021659,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:47.862000Z",
            "spacegroup": 205
        },
        {
            "id": "mp-1100790",
            "created_at": "2022-09-04T14:42:06.906098Z",
            "structure_string": "Ca15 Sn25 S65\n1.0\n-7.087626 0.105599 0.000000\n0.000000 0.000000 -15.009609\n0.592500 -39.072743 0.000000\nCa Sn S\n15 25 65\ndirect\n0.497486 0.000000 0.822394 Ca\n0.502514 0.000000 0.177606 Ca\n0.523285 0.667148 0.826135 Ca\n0.523285 0.332852 0.826135 Ca\n0.476715 0.332852 0.173865 Ca\n0.476715 0.667148 0.173865 Ca\n0.071418 0.000000 0.908620 Ca\n0.928582 0.000000 0.091380 Ca\n0.039234 0.657746 0.920615 Ca\n0.039234 0.342254 0.920615 Ca\n0.960766 0.342254 0.079385 Ca\n0.960766 0.657746 0.079385 Ca\n0.500000 0.000000 0.000000 Ca\n0.500000 0.659697 0.000000 Ca\n0.500000 0.340303 0.000000 Ca\n0.659709 0.860439 0.730772 Sn\n0.659709 0.139561 0.730772 Sn\n0.340291 0.139561 0.269228 Sn\n0.340291 0.860439 0.269228 Sn\n0.156407 0.756727 0.726044 Sn\n0.156407 0.243273 0.726044 Sn\n0.843593 0.243273 0.273956 Sn\n0.843593 0.756727 0.273956 Sn\n0.032303 0.500000 0.745840 Sn\n0.967697 0.500000 0.254160 Sn\n0.990237 0.834716 0.827055 Sn\n0.990237 0.165284 0.827055 Sn\n0.009763 0.165284 0.172945 Sn\n0.009763 0.834716 0.172945 Sn\n0.968756 0.500000 0.833026 Sn\n0.031244 0.500000 0.166974 Sn\n0.516802 0.836049 0.911949 Sn\n0.516802 0.163951 0.911949 Sn\n0.483198 0.163951 0.088051 Sn\n0.483198 0.836049 0.088051 Sn\n0.495143 0.500000 0.910621 Sn\n0.504857 0.500000 0.089379 Sn\n-0.000000 0.836712 0.000000 Sn\n-0.000000 0.163288 0.000000 Sn\n-0.000000 0.500000 0.000000 Sn\n0.954010 0.874330 0.701457 S\n0.954010 0.125670 0.701457 S\n0.045990 0.125670 0.298543 S\n0.045990 0.874330 0.298543 S\n0.452039 0.766951 0.695384 S\n0.452039 0.233049 0.695384 S\n0.547961 0.233049 0.304616 S\n0.547961 0.766951 0.304616 S\n0.486681 0.000000 0.740617 S\n0.513319 0.000000 0.259383 S\n0.017310 0.619579 0.703874 S\n0.017310 0.380421 0.703874 S\n0.982690 0.380421 0.296126 S\n0.982690 0.619579 0.296126 S\n0.690718 0.810976 0.789660 S\n0.690718 0.189024 0.789660 S\n0.309282 0.189024 0.210340 S\n0.309282 0.810976 0.210340 S\n0.238544 0.773446 0.785469 S\n0.238544 0.226554 0.785469 S\n0.761456 0.226554 0.214531 S\n0.761456 0.773446 0.214531 S\n0.259212 0.500000 0.794505 S\n0.740788 0.500000 0.205495 S\n0.751030 0.500000 0.779584 S\n0.248970 0.500000 0.220416 S\n0.045894 0.000000 0.802966 S\n0.954106 0.000000 0.197034 S\n0.913078 0.674408 0.849301 S\n0.913078 0.325592 0.849301 S\n0.086922 0.325592 0.150699 S\n0.086922 0.674408 0.150699 S\n0.284581 0.877810 0.861873 S\n0.284581 0.122190 0.861873 S\n0.715419 0.122190 0.138127 S\n0.715419 0.877810 0.138127 S\n0.770238 0.893550 0.872885 S\n0.770238 0.106450 0.872885 S\n0.229762 0.106450 0.127115 S\n0.229762 0.893550 0.127115 S\n0.151550 0.500000 0.888729 S\n0.848450 0.500000 0.111271 S\n0.619744 0.500000 0.852095 S\n0.380256 0.500000 0.147905 S\n0.456830 0.000000 0.929887 S\n0.543170 0.000000 0.070113 S\n0.430319 0.673602 0.898599 S\n0.430319 0.326398 0.898599 S\n0.569681 0.326398 0.101401 S\n0.569681 0.673602 0.101401 S\n0.147175 0.827102 0.942887 S\n0.147175 0.172898 0.942887 S\n0.852825 0.172898 0.057113 S\n0.852825 0.827102 0.057113 S\n0.660339 0.815361 0.970967 S\n0.660339 0.184639 0.970967 S\n0.339661 0.184639 0.029033 S\n0.339661 0.815361 0.029033 S\n0.329688 0.500000 0.968411 S\n0.670312 0.500000 0.031589 S\n0.810756 0.500000 0.940520 S\n0.189244 0.500000 0.059480 S\n-0.000000 0.000000 0.000000 S\n-0.000000 0.659289 0.000000 S\n-0.000000 0.340711 0.000000 S\n",
            "nsites": 105,
            "nelements": 3,
            "elements": [
                "Ca",
                "Sn",
                "S"
            ],
            "chemical_system": "Ca-S-Sn",
            "density": 2.258880629061822,
            "density_atomic": 0.02526639944419625,
            "volume": 4155.716774442064,
            "volume_molar": 23.83458226131741,
            "formula_full": "Ca15 Sn25 S65",
            "formula_reduced": "Ca3Sn5S13",
            "formula_anonymous": "A3B5C13",
            "energy": -506.31229823,
            "energy_per_atom": -4.822021887904762,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -473.6172982300001,
            "band_gap": 0.4285,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0005842,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:38.083000Z",
            "spacegroup": 10
        },
        {
            "id": "mp-1097263",
            "created_at": "2022-09-04T14:40:04.674921Z",
            "structure_string": "Cs2 Rb1 Na1\n1.0\n-9.003587 9.034610 12.769176\n9.003587 -9.034610 12.769176\n9.003587 9.034610 -12.769176\nCs Rb Na\n2 1 1\ndirect\n0.229629 0.000000 0.229629 Cs\n0.770371 0.000000 0.770371 Cs\n0.500000 0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 Na\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Cs",
                "Rb",
                "Na"
            ],
            "chemical_system": "Cs-Na-Rb",
            "density": 0.14958377980745732,
            "density_atomic": 0.0009627469504032807,
            "volume": 4154.778156736262,
            "volume_molar": 625.5164721609777,
            "formula_full": "Cs2 Rb1 Na1",
            "formula_reduced": "Cs2RbNa",
            "formula_anonymous": "ABC2",
            "energy": -2.04388011,
            "energy_per_atom": -0.5109700275,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -2.04388011,
            "band_gap": 0.1241000000000001,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 1.9219938,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:49.887000Z",
            "spacegroup": 71
        },
        {
            "id": "mp-1201409",
            "created_at": "2022-09-04T14:47:25.979175Z",
            "structure_string": "Cu2 P12 Pd22 O68\n1.0\n13.712267 0.000170 -5.341233\n-3.260168 14.937538 -3.261193\n0.028700 -0.048910 20.263229\nCu P Pd O\n2 12 22 68\ndirect\n0.384347 0.381301 0.306506 Cu\n0.615653 0.618699 0.693494 Cu\n0.114633 0.565859 0.269346 P\n0.885367 0.434141 0.730654 P\n0.259572 0.422282 0.036921 P\n0.740428 0.577718 0.963079 P\n0.677298 0.540894 0.268738 P\n0.322702 0.459106 0.731262 P\n0.645047 0.189099 0.334320 P\n0.354953 0.810901 0.665680 P\n0.226966 0.064233 0.108527 P\n0.773034 0.935767 0.891473 P\n0.092418 0.221377 0.345187 P\n0.907582 0.778623 0.654813 P\n0.266674 0.268372 0.114889 Pd\n0.733326 0.731628 0.885111 Pd\n0.174549 0.388263 0.303636 Pd\n0.825451 0.611737 0.696364 Pd\n0.237765 0.474568 0.188408 Pd\n0.762235 0.525432 0.811592 Pd\n0.447190 0.465983 0.187754 Pd\n0.552810 0.534017 0.812246 Pd\n0.586870 0.366949 0.298305 Pd\n0.413130 0.633051 0.701695 Pd\n0.420696 0.180218 0.242131 Pd\n0.579304 0.819782 0.757869 Pd\n0.215844 0.190067 0.248074 Pd\n0.784156 0.809933 0.751926 Pd\n0.340512 0.582066 0.382842 Pd\n0.659488 0.417934 0.617158 Pd\n0.568276 0.572006 0.381704 Pd\n0.431724 0.427994 0.618296 Pd\n0.550380 0.304674 0.434514 Pd\n0.449620 0.695326 0.565486 Pd\n0.324974 0.315946 0.438080 Pd\n0.675026 0.684054 0.561920 Pd\n0.031347 0.615360 0.257553 O\n0.968653 0.384640 0.742447 O\n0.226019 0.438297 0.962182 O\n0.773981 0.561703 0.037818 O\n0.765372 0.584206 0.257676 O\n0.234628 0.415794 0.742324 O\n0.723613 0.134911 0.340399 O\n0.276387 0.865089 0.659601 O\n0.639837 0.227023 0.410687 O\n0.360163 0.772977 0.589313 O\n0.183431 0.973358 0.054274 O\n0.816569 0.026642 0.945726 O\n0.003996 0.177353 0.355483 O\n0.996004 0.822647 0.644517 O\n0.454162 0.373593 0.446673 O\n0.545838 0.626407 0.553327 O\n0.236633 0.318443 0.029476 O\n0.763367 0.681557 0.970524 O\n0.211625 0.139182 0.066310 O\n0.788375 0.860818 0.933690 O\n0.186929 0.254770 0.419402 O\n0.813071 0.745230 0.580598 O\n0.082016 0.470030 0.277073 O\n0.917984 0.529970 0.722927 O\n0.071053 0.304654 0.314296 O\n0.928947 0.695346 0.685704 O\n0.146743 0.553789 0.202193 O\n0.853257 0.446211 0.797807 O\n0.202848 0.468518 0.082474 O\n0.797152 0.531482 0.917526 O\n0.375248 0.459948 0.081505 O\n0.624752 0.540052 0.918495 O\n0.576981 0.538134 0.202981 O\n0.423019 0.461866 0.797019 O\n0.681610 0.441821 0.272724 O\n0.318390 0.558179 0.727276 O\n0.664295 0.270571 0.303203 O\n0.335705 0.729429 0.696797 O\n0.539217 0.128482 0.280750 O\n0.460783 0.871518 0.719250 O\n0.342327 0.076174 0.154149 O\n0.657673 0.923826 0.845851 O\n0.174662 0.079681 0.164338 O\n0.825338 0.920319 0.835662 O\n0.118422 0.153100 0.288744 O\n0.881578 0.846900 0.711256 O\n0.209353 0.617415 0.340424 O\n0.790647 0.382585 0.659576 O\n0.464157 0.541817 0.414812 O\n0.535843 0.458183 0.585188 O\n0.672313 0.594134 0.341650 O\n0.327687 0.405866 0.658350 O\n0.326392 0.390425 0.182797 O\n0.673608 0.609575 0.817203 O\n0.310497 0.243378 0.211961 O\n0.689503 0.756622 0.788039 O\n0.288296 0.468058 0.295613 O\n0.711704 0.531942 0.704387 O\n0.276302 0.309705 0.328267 O\n0.723698 0.690295 0.671733 O\n0.498700 0.458674 0.294859 O\n0.501300 0.541326 0.705141 O\n0.483981 0.298295 0.324427 O\n0.516019 0.701705 0.675573 O\n0.384469 0.687669 0.463430 O\n0.615531 0.312331 0.536570 O\n0.366632 0.320991 0.539762 O\n0.633368 0.679009 0.460238 O\n",
            "nsites": 104,
            "nelements": 4,
            "elements": [
                "Cu",
                "P",
                "Pd",
                "O"
            ],
            "chemical_system": "Cu-O-P-Pd",
            "density": 1.5718034395889275,
            "density_atomic": 0.0250618780866795,
            "volume": 4149.728908595899,
            "volume_molar": 24.029088080197766,
            "formula_full": "Cu2 P12 Pd22 O68",
            "formula_reduced": "CuP6Pd11O34",
            "formula_anonymous": "AB6C11D34",
            "energy": -659.3066043,
            "energy_per_atom": -6.3394865798076925,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -612.5906043,
            "band_gap": 0.0092999999999996,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 29.9997442,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:12.241000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1206317",
            "created_at": "2022-09-04T14:41:25.024245Z",
            "structure_string": "La2 Cd1 Sb3\n1.0\n9.870107 0.000000 0.000000\n0.000000 9.870107 0.000000\n0.000000 0.000000 42.535734\nLa Cd Sb\n2 1 3\ndirect\n0.500000 0.500000 0.243978 La\n0.500000 0.500000 0.756022 La\n0.500000 0.500000 0.500000 Cd\n0.500000 0.500000 0.691877 Sb\n0.500000 0.500000 0.308123 Sb\n0.500000 0.500000 0.000000 Sb\n",
            "nsites": 6,
            "nelements": 3,
            "elements": [
                "La",
                "Cd",
                "Sb"
            ],
            "chemical_system": "Cd-La-Sb",
            "density": 0.3027520052314839,
            "density_atomic": 0.001447950107055701,
            "volume": 4143.789189118232,
            "volume_molar": 415.90802961060416,
            "formula_full": "La2 Cd1 Sb3",
            "formula_reduced": "La2CdSb3",
            "formula_anonymous": "AB2C3",
            "energy": -12.452835370000004,
            "energy_per_atom": -2.0754725616666674,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -11.87683537,
            "band_gap": 0.0675999999999996,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 3.2965305,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:20.507000Z",
            "spacegroup": 123
        },
        {
            "id": "mp-683975",
            "created_at": "2022-09-04T14:48:04.311873Z",
            "structure_string": "K24 Yb12 P20 S80\n1.0\n6.489125 13.911125 0.000000\n-6.489125 13.911125 0.000000\n0.000000 15.515556 22.836602\nYb K P S\n12 24 20 80\ndirect\n0.854010 0.373713 0.122399 Yb\n0.178784 0.696739 0.438039 Yb\n0.373713 0.854010 0.622399 Yb\n0.977931 0.542196 0.257017 Yb\n0.145990 0.626287 0.877601 Yb\n0.542196 0.977931 0.757017 Yb\n0.821216 0.303261 0.561961 Yb\n0.457804 0.022069 0.242983 Yb\n0.626287 0.145990 0.377601 Yb\n0.696739 0.178784 0.938039 Yb\n0.303261 0.821216 0.061961 Yb\n0.022069 0.457804 0.742983 Yb\n0.669510 0.811550 0.978093 K\n0.948621 0.874322 0.269820 K\n0.783243 0.085236 0.138512 K\n0.549730 0.632968 0.231395 K\n0.646249 0.566989 0.926178 K\n0.188450 0.330490 0.521907 K\n0.243393 0.075959 0.422316 K\n0.756607 0.924041 0.577684 K\n0.632968 0.549730 0.731395 K\n0.216757 0.914764 0.861488 K\n0.874322 0.948621 0.769820 K\n0.075959 0.243393 0.922316 K\n0.367032 0.450270 0.268605 K\n0.433011 0.353751 0.573822 K\n0.914764 0.216757 0.361488 K\n0.450270 0.367032 0.768605 K\n0.051379 0.125678 0.730180 K\n0.125678 0.051379 0.230180 K\n0.924041 0.756607 0.077684 K\n0.353751 0.433011 0.073822 K\n0.085236 0.783243 0.638512 K\n0.566989 0.646249 0.426178 K\n0.330490 0.188450 0.021907 K\n0.811550 0.669510 0.478093 K\n0.102049 0.523651 0.810125 P\n0.439169 0.415328 0.406426 P\n0.076965 0.102669 0.091155 P\n0.102669 0.076965 0.591155 P\n0.687691 0.130819 0.663483 P\n0.415328 0.439169 0.906426 P\n0.924121 0.425944 0.406203 P\n0.574056 0.075879 0.093797 P\n0.897331 0.923035 0.408845 P\n0.869181 0.312309 0.836517 P\n0.897951 0.476349 0.189875 P\n0.425944 0.924121 0.906203 P\n0.130819 0.687691 0.163483 P\n0.312309 0.869181 0.336517 P\n0.523651 0.102049 0.310125 P\n0.476349 0.897951 0.689875 P\n0.560831 0.584672 0.593574 P\n0.923035 0.897331 0.908845 P\n0.075879 0.574056 0.593797 P\n0.584672 0.560831 0.093574 P\n0.390543 0.980574 0.969966 S\n0.742377 0.523904 0.029996 S\n0.790121 0.550070 0.258094 S\n0.333160 0.060400 0.846298 S\n0.491001 0.794875 0.298885 S\n0.019426 0.609457 0.530034 S\n0.939600 0.666840 0.653702 S\n0.821777 0.576471 0.122853 S\n0.383623 0.564865 0.828922 S\n0.435135 0.616377 0.671078 S\n0.666840 0.939600 0.153702 S\n0.928909 0.968542 0.951337 S\n0.724608 0.175222 0.575021 S\n0.061956 0.872111 0.834102 S\n0.050931 0.231004 0.805536 S\n0.060400 0.333160 0.346298 S\n0.804386 0.257657 0.815842 S\n0.475983 0.564541 0.070127 S\n0.968542 0.928909 0.451337 S\n0.508999 0.205125 0.701115 S\n0.056346 0.462694 0.161789 S\n0.196050 0.626611 0.553765 S\n0.936516 0.736306 0.960231 S\n0.524017 0.435459 0.929873 S\n0.938044 0.127889 0.165898 S\n0.742343 0.195614 0.684158 S\n0.824778 0.275392 0.924979 S\n0.794875 0.491001 0.798885 S\n0.063484 0.263694 0.039769 S\n0.914532 0.314766 0.219903 S\n0.537306 0.943654 0.338211 S\n0.423529 0.178223 0.377147 S\n0.603782 0.844781 0.864575 S\n0.476096 0.257623 0.470004 S\n0.234659 0.991265 0.111834 S\n0.844781 0.603782 0.364575 S\n0.576471 0.821777 0.622853 S\n0.462694 0.056346 0.661789 S\n0.209879 0.449930 0.741906 S\n0.435459 0.524017 0.429873 S\n0.685234 0.085468 0.280097 S\n0.178223 0.423529 0.877147 S\n0.949069 0.768996 0.194464 S\n0.071091 0.031458 0.048663 S\n0.314766 0.914532 0.719903 S\n0.231004 0.050931 0.305536 S\n0.257657 0.804386 0.315842 S\n0.872111 0.061956 0.334102 S\n0.031458 0.071091 0.548663 S\n0.564541 0.475983 0.570127 S\n0.609457 0.019426 0.030034 S\n0.275861 0.498789 0.397291 S\n0.257623 0.476096 0.970004 S\n0.564865 0.383623 0.328922 S\n0.550070 0.790121 0.758094 S\n0.205125 0.508999 0.201115 S\n0.991265 0.234659 0.611834 S\n0.498789 0.275861 0.897291 S\n0.626611 0.196050 0.053765 S\n0.195614 0.742343 0.184158 S\n0.373389 0.803950 0.946235 S\n0.396218 0.155219 0.135425 S\n0.765341 0.008735 0.888166 S\n0.616377 0.435135 0.171078 S\n0.724139 0.501211 0.602709 S\n0.768996 0.949069 0.694464 S\n0.175222 0.724608 0.075021 S\n0.008735 0.765341 0.388166 S\n0.736306 0.936516 0.460231 S\n0.127889 0.938044 0.665898 S\n0.501211 0.724139 0.102709 S\n0.155219 0.396218 0.635425 S\n0.943654 0.537306 0.838211 S\n0.263694 0.063484 0.539769 S\n0.085468 0.685234 0.780097 S\n0.803950 0.373389 0.446235 S\n0.523904 0.742377 0.529996 S\n0.980574 0.390543 0.469966 S\n0.449930 0.209879 0.241906 S\n0.275392 0.824778 0.424979 S\n",
            "nsites": 136,
            "nelements": 4,
            "elements": [
                "Yb",
                "K",
                "P",
                "S"
            ],
            "chemical_system": "K-P-S-Yb",
            "density": 2.4968755784742767,
            "density_atomic": 0.03298595305893951,
            "volume": 4122.967123520559,
            "volume_molar": 18.256682622568466,
            "formula_full": "K24 Yb12 P20 S80",
            "formula_reduced": "K6Yb3(PS4)5",
            "formula_anonymous": "A3B5C6D20",
            "energy": -648.4522534,
            "energy_per_atom": -4.768031275,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -608.2122534,
            "band_gap": 0.0057999999999999,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.1929005,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:27.298000Z",
            "spacegroup": 15
        }
    ]
}