GET /third-parties/MatprojStructure/?format=api&ordering=is_gap_direct&page=12170
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_gap_direct&page=12171",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_gap_direct&page=12169",
    "results": [
        {
            "id": "mp-1177168",
            "created_at": "2022-09-04T14:43:09.089573Z",
            "structure_string": "Li40 Ni8 H8 O32\n1.0\n8.776872 0.000000 0.000000\n0.000000 9.033917 0.000000\n0.000000 0.000000 10.638516\nLi Ni H O\n40 8 8 32\ndirect\n0.972829 0.583685 0.199425 Li\n0.972829 0.916315 0.199425 Li\n0.073127 0.066208 0.427731 Li\n0.073127 0.433792 0.427731 Li\n0.071175 0.750000 0.436378 Li\n0.122495 0.250000 0.979052 Li\n0.111019 0.569550 0.990794 Li\n0.111019 0.930450 0.990794 Li\n0.204640 0.585601 0.632182 Li\n0.204640 0.914399 0.632182 Li\n0.295361 0.085601 0.132182 Li\n0.295361 0.414399 0.132182 Li\n0.388981 0.069550 0.490794 Li\n0.388981 0.430450 0.490794 Li\n0.377505 0.750000 0.479052 Li\n0.428825 0.250000 0.936378 Li\n0.426873 0.566208 0.927731 Li\n0.426873 0.933792 0.927731 Li\n0.527171 0.083685 0.699425 Li\n0.527171 0.416315 0.699425 Li\n0.472829 0.583685 0.300575 Li\n0.472829 0.916315 0.300575 Li\n0.573127 0.066208 0.072269 Li\n0.573127 0.433792 0.072269 Li\n0.571175 0.750000 0.063622 Li\n0.622495 0.250000 0.520948 Li\n0.611019 0.569550 0.509206 Li\n0.611019 0.930450 0.509206 Li\n0.704639 0.585601 0.867818 Li\n0.704639 0.914399 0.867818 Li\n0.795361 0.085601 0.367818 Li\n0.795361 0.414399 0.367818 Li\n0.888981 0.069550 0.009206 Li\n0.888981 0.430450 0.009206 Li\n0.877505 0.750000 0.020948 Li\n0.928825 0.250000 0.563622 Li\n0.926873 0.933792 0.572269 Li\n0.926873 0.566208 0.572269 Li\n0.027171 0.083685 0.800575 Li\n0.027171 0.416315 0.800575 Li\n0.012221 0.250000 0.210834 Ni\n0.211013 0.250000 0.633358 Ni\n0.288987 0.750000 0.133358 Ni\n0.487779 0.750000 0.710834 Ni\n0.512221 0.250000 0.289166 Ni\n0.711013 0.250000 0.866642 Ni\n0.788987 0.750000 0.366642 Ni\n0.987779 0.750000 0.789166 Ni\n0.206686 0.585911 0.312779 H\n0.206686 0.914089 0.312779 H\n0.293314 0.085911 0.812779 H\n0.293314 0.414089 0.812779 H\n0.706686 0.585911 0.187221 H\n0.706686 0.914089 0.187221 H\n0.793314 0.085911 0.687221 H\n0.793314 0.414089 0.687221 H\n0.053252 0.750000 0.622235 O\n0.075571 0.416287 0.120598 O\n0.075571 0.083713 0.120598 O\n0.079087 0.413182 0.616578 O\n0.079087 0.086818 0.616578 O\n0.080068 0.750000 0.105323 O\n0.241997 0.073308 0.893923 O\n0.241997 0.426692 0.893923 O\n0.258003 0.573308 0.393923 O\n0.258003 0.926692 0.393923 O\n0.419932 0.250000 0.605323 O\n0.420913 0.586818 0.116578 O\n0.420913 0.913182 0.116578 O\n0.424429 0.583713 0.620598 O\n0.424429 0.916287 0.620598 O\n0.446748 0.250000 0.122235 O\n0.553252 0.750000 0.877765 O\n0.575571 0.083713 0.379402 O\n0.575571 0.416287 0.379402 O\n0.579087 0.086818 0.883422 O\n0.579087 0.413182 0.883422 O\n0.580068 0.750000 0.394677 O\n0.741997 0.073308 0.606077 O\n0.741997 0.426692 0.606077 O\n0.758003 0.573308 0.106077 O\n0.758003 0.926692 0.106077 O\n0.919932 0.250000 0.894677 O\n0.920913 0.913182 0.383422 O\n0.920913 0.586818 0.383422 O\n0.924429 0.916287 0.879402 O\n0.924429 0.583713 0.879402 O\n0.946748 0.250000 0.377765 O\n",
            "nsites": 88,
            "nelements": 4,
            "elements": [
                "Li",
                "Ni",
                "H",
                "O"
            ],
            "chemical_system": "H-Li-Ni-O",
            "density": 2.4946415534853115,
            "density_atomic": 0.10432436746603523,
            "volume": 843.5229672362985,
            "volume_molar": 5.77251595794302,
            "formula_full": "Li40 Ni8 H8 O32",
            "formula_reduced": "Li5NiHO4",
            "formula_anonymous": "ABC4D5",
            "energy": -461.7860988700001,
            "energy_per_atom": -5.24756930534091,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -419.47409887,
            "band_gap": 2.5773,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 16.0001313,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:03.886000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-1195589",
            "created_at": "2022-09-04T14:43:08.845537Z",
            "structure_string": "Ba4 Nd4 Sn8 S24\n1.0\n4.048845 0.000000 0.000000\n0.000000 12.081856 0.000000\n0.000000 0.000000 20.246389\nBa Nd Sn S\n4 4 8 24\ndirect\n0.500000 0.318216 0.078493 Ba\n0.500000 0.818216 0.921507 Ba\n0.500000 0.753114 0.361876 Ba\n0.500000 0.253114 0.638124 Ba\n0.500000 0.683741 0.120224 Nd\n0.500000 0.183741 0.879776 Nd\n0.500000 0.874325 0.581068 Nd\n0.500000 0.374325 0.418932 Nd\n0.500000 0.102097 0.254848 Sn\n0.500000 0.602097 0.745152 Sn\n0.000000 0.993975 0.092960 Sn\n0.000000 0.493975 0.907040 Sn\n0.000000 0.500713 0.248082 Sn\n0.000000 0.000713 0.751918 Sn\n0.000000 0.548091 0.575507 Sn\n0.000000 0.048091 0.424493 Sn\n0.500000 0.060160 0.016399 S\n0.500000 0.560160 0.983601 S\n0.500000 0.920944 0.167108 S\n0.500000 0.420944 0.832892 S\n0.500000 0.596147 0.507047 S\n0.500000 0.096147 0.492953 S\n0.500000 0.878629 0.741608 S\n0.500000 0.378629 0.258392 S\n0.000000 0.796577 0.043321 S\n0.000000 0.296577 0.956679 S\n0.000000 0.506059 0.120999 S\n0.000000 0.006059 0.879001 S\n0.000000 0.169000 0.161767 S\n0.000000 0.669000 0.838233 S\n0.000000 0.703532 0.230424 S\n0.000000 0.203532 0.769576 S\n0.000000 0.952201 0.317639 S\n0.000000 0.452201 0.682361 S\n0.000000 0.535443 0.372122 S\n0.000000 0.035443 0.627878 S\n0.000000 0.852455 0.477094 S\n0.000000 0.352455 0.522906 S\n0.000000 0.730710 0.637136 S\n0.000000 0.230710 0.362864 S\n",
            "nsites": 40,
            "nelements": 4,
            "elements": [
                "Ba",
                "Nd",
                "Sn",
                "S"
            ],
            "chemical_system": "Ba-Nd-S-Sn",
            "density": 4.7708717952272375,
            "density_atomic": 0.0403875592457763,
            "volume": 990.4039943731725,
            "volume_molar": 14.910880658453731,
            "formula_full": "Ba4 Nd4 Sn8 S24",
            "formula_reduced": "BaNd(SnS3)2",
            "formula_anonymous": "ABC2D6",
            "energy": -217.14825269,
            "energy_per_atom": -5.42870631725,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -205.07625269,
            "band_gap": 0.3689,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0006802,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:01.078000Z",
            "spacegroup": 26
        },
        {
            "id": "mp-1080320",
            "created_at": "2022-09-04T14:43:14.495259Z",
            "structure_string": "Ce6 Se12\n1.0\n6.099229 -7.073041 0.000000\n6.099229 7.073041 0.000000\n-2.103106 0.000000 9.099750\nCe Se\n6 12\ndirect\n0.881476 0.243217 0.592720 Ce\n0.243217 0.592720 0.881476 Ce\n0.592720 0.881476 0.243217 Ce\n0.118524 0.756783 0.407280 Ce\n0.756783 0.407280 0.118524 Ce\n0.407280 0.118524 0.756783 Ce\n0.000000 0.500000 0.500000 Se\n0.500000 0.500000 0.000000 Se\n0.500000 0.000000 0.500000 Se\n0.707238 0.255303 0.816575 Se\n0.255303 0.816575 0.707238 Se\n0.816575 0.707238 0.255303 Se\n0.292762 0.744697 0.183425 Se\n0.744697 0.183425 0.292762 Se\n0.183425 0.292762 0.744697 Se\n0.000000 0.000000 0.500000 Se\n0.000000 0.500000 0.000000 Se\n0.500000 0.000000 0.000000 Se\n",
            "nsites": 18,
            "nelements": 2,
            "elements": [
                "Ce",
                "Se"
            ],
            "chemical_system": "Ce-Se",
            "density": 3.7820607639263457,
            "density_atomic": 0.022926192430889406,
            "volume": 785.1281914456871,
            "volume_molar": 26.26751379738975,
            "formula_full": "Ce6 Se12",
            "formula_reduced": "CeSe2",
            "formula_anonymous": "AB2",
            "energy": -106.06279395,
            "energy_per_atom": -5.8923774416666665,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -100.39879395,
            "band_gap": 0.2700999999999999,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0012439,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:06.954000Z",
            "spacegroup": 148
        },
        {
            "id": "mp-729848",
            "created_at": "2022-09-04T14:43:09.278737Z",
            "structure_string": "Mo6 P2 W18 N6 O80\n1.0\n13.157063 0.000000 0.000000\n0.000000 14.086423 0.000000\n0.000000 0.000000 14.635140\nMo P W N O\n6 2 18 6 80\ndirect\n0.797397 0.864857 0.781982 Mo\n0.797397 0.135143 0.781982 Mo\n0.202603 0.635143 0.281982 Mo\n0.202603 0.364857 0.281982 Mo\n0.923020 0.000000 0.978566 Mo\n0.076980 0.500000 0.478566 Mo\n0.645731 0.000000 0.946548 P\n0.354269 0.500000 0.446548 P\n0.531499 0.864585 0.760258 W\n0.531499 0.135415 0.760258 W\n0.468501 0.635415 0.260258 W\n0.468501 0.364585 0.260258 W\n0.646557 0.741979 0.940920 W\n0.646557 0.258021 0.940920 W\n0.353443 0.758021 0.440920 W\n0.353443 0.241979 0.440920 W\n0.770260 0.877724 0.135860 W\n0.770260 0.122276 0.135860 W\n0.229740 0.622276 0.635860 W\n0.229740 0.377724 0.635860 W\n0.406461 0.874643 0.988569 W\n0.406461 0.125357 0.988569 W\n0.593539 0.625357 0.488569 W\n0.593539 0.374643 0.488569 W\n0.522222 0.000000 0.167888 W\n0.477778 0.500000 0.667888 W\n0.179605 0.000000 0.682409 N\n0.820395 0.500000 0.182409 N\n0.157428 0.000000 0.233068 N\n0.842572 0.500000 0.733068 N\n0.654690 0.000000 0.472997 N\n0.345310 0.500000 0.972997 N\n0.650667 0.909926 0.886227 O\n0.650667 0.090074 0.886227 O\n0.349333 0.590074 0.386227 O\n0.349333 0.409926 0.386227 O\n0.543582 0.000000 0.999327 O\n0.456418 0.500000 0.499327 O\n0.734988 0.000000 0.015231 O\n0.265012 0.500000 0.515231 O\n0.882264 0.820408 0.705810 O\n0.882264 0.179592 0.705810 O\n0.117736 0.679592 0.205810 O\n0.117736 0.320408 0.205810 O\n0.052148 0.000000 0.975224 O\n0.947852 0.500000 0.475224 O\n0.461228 0.822408 0.669373 O\n0.461228 0.177592 0.669373 O\n0.538772 0.677592 0.169373 O\n0.538772 0.322408 0.169373 O\n0.647960 0.622260 0.964591 O\n0.647960 0.377740 0.964591 O\n0.352040 0.877740 0.464591 O\n0.352040 0.122260 0.464591 O\n0.301409 0.801698 0.995550 O\n0.301409 0.198302 0.995550 O\n0.698591 0.698302 0.495550 O\n0.698591 0.301698 0.495550 O\n0.486445 0.000000 0.281254 O\n0.513555 0.500000 0.781254 O\n0.807545 0.799402 0.219961 O\n0.807545 0.200598 0.219961 O\n0.192455 0.700598 0.719961 O\n0.192455 0.299402 0.719961 O\n0.670214 0.854239 0.714036 O\n0.670214 0.145761 0.714036 O\n0.329786 0.645761 0.214036 O\n0.329786 0.354239 0.214036 O\n0.761762 0.755884 0.855536 O\n0.761762 0.244116 0.855536 O\n0.238238 0.744116 0.355536 O\n0.238238 0.255884 0.355536 O\n0.568149 0.746769 0.825267 O\n0.568149 0.253231 0.825267 O\n0.431851 0.753231 0.325267 O\n0.431851 0.246769 0.325267 O\n0.430516 0.904627 0.116311 O\n0.430516 0.095373 0.116311 O\n0.569484 0.595373 0.616311 O\n0.569484 0.404627 0.616311 O\n0.345168 0.000000 0.974134 O\n0.654832 0.500000 0.474134 O\n0.896296 0.902141 0.066820 O\n0.896296 0.097859 0.066820 O\n0.103704 0.597859 0.566820 O\n0.103704 0.402141 0.566820 O\n0.799754 0.000000 0.192948 O\n0.200246 0.500000 0.692948 O\n0.883850 0.909761 0.881044 O\n0.883850 0.090239 0.881044 O\n0.116150 0.590239 0.381044 O\n0.116150 0.409761 0.381044 O\n0.791563 0.000000 0.752297 O\n0.208437 0.500000 0.252297 O\n0.724801 0.793363 0.039742 O\n0.724801 0.206637 0.039742 O\n0.275199 0.706637 0.539742 O\n0.275199 0.293363 0.539742 O\n0.528347 0.000000 0.740726 O\n0.471653 0.500000 0.240726 O\n0.432539 0.877440 0.857023 O\n0.432539 0.122560 0.857023 O\n0.567461 0.622560 0.357023 O\n0.567461 0.377440 0.357023 O\n0.520541 0.785951 0.994164 O\n0.520541 0.214049 0.994164 O\n0.479459 0.714049 0.494164 O\n0.479459 0.285951 0.494164 O\n0.629983 0.905181 0.165399 O\n0.629983 0.094819 0.165399 O\n0.370017 0.594819 0.665399 O\n0.370017 0.405181 0.665399 O\n",
            "nsites": 112,
            "nelements": 5,
            "elements": [
                "Mo",
                "P",
                "W",
                "N",
                "O"
            ],
            "chemical_system": "Mo-N-O-P-W",
            "density": 3.251204464977362,
            "density_atomic": 0.0412915762256875,
            "volume": 2712.417646346103,
            "volume_molar": 14.58442934482512,
            "formula_full": "Mo6 P2 W18 N6 O80",
            "formula_reduced": "Mo3PW9N3O40",
            "formula_anonymous": "AB3C3D9E40",
            "energy": -934.77676558,
            "energy_per_atom": -8.34622112125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -780.72076558,
            "band_gap": 2.5823,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 22.7473213,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:11.275000Z",
            "spacegroup": 31
        },
        {
            "id": "mp-1046563",
            "created_at": "2022-09-04T14:43:12.020445Z",
            "structure_string": "Te6 Mo10 O36\n1.0\n4.769243 7.471262 0.000000\n-4.769243 7.471262 0.000000\n0.000000 2.048108 11.311683\nTe Mo O\n6 10 36\ndirect\n0.968438 0.358512 0.948343 Te\n0.181127 0.800740 0.263509 Te\n0.199260 0.818873 0.736491 Te\n0.817772 0.527816 0.461065 Te\n0.472184 0.182228 0.538935 Te\n0.641488 0.031562 0.051657 Te\n0.513235 0.773605 0.973431 Mo\n0.163729 0.125236 0.478462 Mo\n0.362742 0.342586 0.282388 Mo\n0.722239 0.969088 0.775274 Mo\n0.657414 0.637258 0.717612 Mo\n0.047896 0.952104 0.000000 Mo\n0.352802 0.647198 0.500000 Mo\n0.030912 0.277761 0.224726 Mo\n0.874764 0.836271 0.521538 Mo\n0.226395 0.486765 0.026569 Mo\n0.168810 0.384184 0.894433 O\n0.429677 0.765276 0.808680 O\n0.592840 0.607767 0.554340 O\n0.110682 0.730172 0.438576 O\n0.234724 0.570323 0.191320 O\n0.269828 0.889318 0.561424 O\n0.825871 0.358960 0.286941 O\n0.055061 0.120190 0.878924 O\n0.291362 0.605485 0.686188 O\n0.418154 0.117053 0.399106 O\n0.590895 0.571770 0.035121 O\n0.987312 0.473033 0.088036 O\n0.947583 0.856143 0.677916 O\n0.724898 0.723677 0.847019 O\n0.428230 0.409105 0.964879 O\n0.564479 0.282753 0.220701 O\n0.800238 0.035512 0.450244 O\n0.276323 0.275102 0.152981 O\n0.392233 0.407160 0.445660 O\n0.964488 0.199762 0.549756 O\n0.812367 0.736373 0.390839 O\n0.652546 0.888673 0.634458 O\n0.879810 0.944939 0.121076 O\n0.717247 0.435521 0.779299 O\n0.823700 0.988143 0.915776 O\n0.131886 0.731058 0.935146 O\n0.526967 0.012688 0.911964 O\n0.641040 0.174129 0.713059 O\n0.143857 0.052417 0.322084 O\n0.111327 0.347454 0.365542 O\n0.263627 0.187633 0.609161 O\n0.268942 0.868114 0.064854 O\n0.394515 0.708638 0.313812 O\n0.882947 0.581846 0.600894 O\n0.011857 0.176300 0.084224 O\n0.615816 0.831190 0.105567 O\n",
            "nsites": 52,
            "nelements": 3,
            "elements": [
                "Te",
                "Mo",
                "O"
            ],
            "chemical_system": "Mo-O-Te",
            "density": 4.739810736703913,
            "density_atomic": 0.06450638506588452,
            "volume": 806.1217497599511,
            "volume_molar": 9.335728166830616,
            "formula_full": "Te6 Mo10 O36",
            "formula_reduced": "Te3Mo5O18",
            "formula_anonymous": "A3B5C18",
            "energy": -394.01029741,
            "energy_per_atom": -7.577121104038462,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -337.25829741,
            "band_gap": 1.5547999999999995,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 12.0011061,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:00.512000Z",
            "spacegroup": 5
        },
        {
            "id": "mp-1076863",
            "created_at": "2022-09-04T14:43:11.269300Z",
            "structure_string": "Ba4 Fe4 O10\n1.0\n-2.903628 2.957986 8.197355\n2.903628 -2.957986 8.197355\n2.903628 2.957986 -8.197355\nBa Fe O\n4 4 10\ndirect\n0.878126 0.387523 0.489966 Ba\n0.121874 0.611840 0.509397 Ba\n0.397558 0.887523 0.509397 Ba\n0.602442 0.111840 0.489966 Ba\n0.000000 0.996854 0.996854 Fe\n0.500000 0.496854 0.996854 Fe\n0.819178 0.775464 0.094642 Fe\n0.180822 0.275464 0.956286 Fe\n0.751574 0.752709 0.495658 O\n0.248426 0.744083 0.001134 O\n0.757051 0.252709 0.001134 O\n0.242949 0.244083 0.495658 O\n0.822528 0.846637 0.950089 O\n0.177472 0.127561 0.024109 O\n0.396549 0.346637 0.024109 O\n0.603451 0.627561 0.950089 O\n0.909355 0.093329 0.502683 O\n0.090645 0.593329 0.183974 O\n",
            "nsites": 18,
            "nelements": 3,
            "elements": [
                "Ba",
                "Fe",
                "O"
            ],
            "chemical_system": "Ba-Fe-O",
            "density": 5.4993564262936845,
            "density_atomic": 0.06391483624642992,
            "volume": 281.6247534547258,
            "volume_molar": 9.422132815581419,
            "formula_full": "Ba4 Fe4 O10",
            "formula_reduced": "Ba2Fe2O5",
            "formula_anonymous": "A2B2C5",
            "energy": -131.76755226,
            "energy_per_atom": -7.32041957,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -115.87355226,
            "band_gap": 0.8678999999999997,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 19.9995828,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:57.302000Z",
            "spacegroup": 46
        },
        {
            "id": "mp-1211228",
            "created_at": "2022-09-04T14:43:16.504398Z",
            "structure_string": "Li12 Sm8 B12 O36\n1.0\n14.169420 0.000000 0.000000\n0.000000 5.773841 0.000000\n0.000000 3.655207 8.581966\nLi Sm B O\n12 8 12 36\ndirect\n0.334853 0.909501 0.017726 Li\n0.665147 0.090499 0.982274 Li\n0.834853 0.090499 0.482274 Li\n0.165147 0.909501 0.517726 Li\n0.782658 0.906651 0.293270 Li\n0.217342 0.093349 0.706730 Li\n0.282658 0.093349 0.206730 Li\n0.717342 0.906651 0.793270 Li\n0.896053 0.562968 0.291528 Li\n0.103947 0.437032 0.708472 Li\n0.396053 0.437032 0.208472 Li\n0.603947 0.562968 0.791528 Li\n0.665026 0.442962 0.192827 Sm\n0.334974 0.557038 0.807173 Sm\n0.165026 0.557038 0.307173 Sm\n0.834974 0.442962 0.692827 Sm\n0.504361 0.848241 0.340681 Sm\n0.495639 0.151759 0.659319 Sm\n0.004361 0.151759 0.159319 Sm\n0.995639 0.848241 0.840681 Sm\n0.984206 0.763725 0.485765 B\n0.015794 0.236275 0.514235 B\n0.484206 0.236275 0.014235 B\n0.515794 0.763725 0.985765 B\n0.836585 0.888778 0.026796 B\n0.163415 0.111222 0.973204 B\n0.336585 0.111222 0.473204 B\n0.663415 0.888778 0.526796 B\n0.824740 0.389536 0.020951 B\n0.175260 0.610464 0.979049 B\n0.324740 0.610464 0.479049 B\n0.675260 0.389536 0.520951 B\n0.897317 0.812330 0.413700 O\n0.102683 0.187670 0.586300 O\n0.397317 0.187670 0.086300 O\n0.602683 0.812330 0.913700 O\n0.593008 0.457133 0.432335 O\n0.406992 0.542867 0.567665 O\n0.093008 0.542867 0.067665 O\n0.906992 0.457133 0.932335 O\n0.756122 0.818824 0.116866 O\n0.243878 0.181176 0.883134 O\n0.256122 0.181176 0.383134 O\n0.743878 0.818824 0.616866 O\n0.565475 0.184293 0.104378 O\n0.434525 0.815707 0.895622 O\n0.065475 0.815707 0.395622 O\n0.934525 0.184293 0.604378 O\n0.926021 0.842124 0.092838 O\n0.073979 0.157876 0.907162 O\n0.426021 0.157876 0.407162 O\n0.573979 0.842124 0.592838 O\n0.832211 0.288305 0.182235 O\n0.167789 0.711695 0.817765 O\n0.332211 0.711695 0.317765 O\n0.667789 0.288305 0.682235 O\n0.510918 0.660657 0.147277 O\n0.489082 0.339343 0.852723 O\n0.010918 0.339343 0.352723 O\n0.989082 0.660657 0.647277 O\n0.761415 0.416713 0.446636 O\n0.238585 0.583287 0.553364 O\n0.261415 0.583287 0.053364 O\n0.738585 0.416713 0.946636 O\n0.666735 0.002627 0.365348 O\n0.333265 0.997373 0.634652 O\n0.166735 0.997373 0.134652 O\n0.833265 0.002627 0.865348 O\n",
            "nsites": 68,
            "nelements": 4,
            "elements": [
                "Li",
                "Sm",
                "B",
                "O"
            ],
            "chemical_system": "B-Li-O-Sm",
            "density": 4.710956656083931,
            "density_atomic": 0.09685124981655689,
            "volume": 702.1076148092751,
            "volume_molar": 6.217927772131346,
            "formula_full": "Li12 Sm8 B12 O36",
            "formula_reduced": "Li3Sm2(BO3)3",
            "formula_anonymous": "A2B3C3D9",
            "energy": -529.4811104,
            "energy_per_atom": -7.78648691764706,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -504.7491104,
            "band_gap": 4.832000000000001,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.001601,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:07.432000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-29019",
            "created_at": "2022-09-04T14:43:11.231207Z",
            "structure_string": "Rb18 I6 O6\n1.0\n4.024846 -6.971238 0.000000\n4.024846 6.971238 0.000000\n0.000000 0.000000 20.012917\nRb I O\n18 6 6\ndirect\n0.331907 0.165954 0.418701 Rb\n0.331907 0.165954 0.081299 Rb\n0.834046 0.668093 0.081299 Rb\n0.165954 0.331907 0.581299 Rb\n0.668093 0.834046 0.581299 Rb\n0.165954 0.834046 0.918701 Rb\n0.834046 0.668093 0.418701 Rb\n0.834046 0.165954 0.081299 Rb\n0.834046 0.165954 0.418701 Rb\n0.479629 0.520371 0.750000 Rb\n0.668093 0.834046 0.918701 Rb\n0.165954 0.331907 0.918701 Rb\n0.520371 0.479629 0.250000 Rb\n0.959258 0.479629 0.250000 Rb\n0.520371 0.040742 0.250000 Rb\n0.479629 0.959258 0.750000 Rb\n0.040742 0.520371 0.750000 Rb\n0.165954 0.834046 0.581299 Rb\n0.333333 0.666667 0.410761 I\n0.666667 0.333333 0.910761 I\n0.666667 0.333333 0.589239 I\n0.333333 0.666667 0.089239 I\n0.000000 0.000000 0.750000 I\n0.000000 0.000000 0.250000 I\n0.333333 0.666667 0.658786 O\n0.666667 0.333333 0.158786 O\n0.666667 0.333333 0.341214 O\n0.333333 0.666667 0.841214 O\n0.000000 0.000000 0.500000 O\n0.000000 0.000000 0.000000 O\n",
            "nsites": 30,
            "nelements": 3,
            "elements": [
                "Rb",
                "I",
                "O"
            ],
            "chemical_system": "I-O-Rb",
            "density": 3.542484815823609,
            "density_atomic": 0.026712939897669274,
            "volume": 1123.051229663326,
            "volume_molar": 22.54390861907879,
            "formula_full": "Rb18 I6 O6",
            "formula_reduced": "Rb3IO",
            "formula_anonymous": "ABC3",
            "energy": -98.55094697,
            "energy_per_atom": -3.2850315656666664,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -92.15494697,
            "band_gap": 1.6746,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0002903,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:07.673000Z",
            "spacegroup": 194
        },
        {
            "id": "mp-1198555",
            "created_at": "2022-09-04T14:43:11.231958Z",
            "structure_string": "U4 C8 O36\n1.0\n-5.582611 0.000000 0.991081\n0.163845 0.000000 -9.857541\n0.000000 -16.355308 0.000000\nU C O\n4 8 36\ndirect\n0.691840 0.256377 0.585969 U\n0.308160 0.243623 0.085969 U\n0.308160 0.743623 0.414031 U\n0.691840 0.756377 0.914031 U\n0.530759 0.474995 0.457506 C\n0.469241 0.025005 0.957506 C\n0.469241 0.525005 0.542494 C\n0.530759 0.974995 0.042494 C\n0.994205 0.925551 0.582806 C\n0.005795 0.574449 0.082806 C\n0.005795 0.074449 0.417194 C\n0.994205 0.425551 0.917194 C\n0.407389 0.141222 0.559541 O\n0.592611 0.358778 0.059541 O\n0.592611 0.858778 0.440459 O\n0.407389 0.641222 0.940459 O\n0.995240 0.357780 0.595061 O\n0.004760 0.142220 0.095061 O\n0.004760 0.642220 0.404939 O\n0.995240 0.857780 0.904939 O\n0.631537 0.371179 0.455985 O\n0.368463 0.128821 0.955985 O\n0.368463 0.628821 0.544015 O\n0.631537 0.871179 0.044015 O\n0.526577 0.457906 0.603209 O\n0.473423 0.042094 0.103209 O\n0.473423 0.542094 0.396791 O\n0.526577 0.957906 0.896791 O\n0.092826 0.844322 0.551863 O\n0.907174 0.655678 0.051863 O\n0.907174 0.155678 0.448137 O\n0.092826 0.344322 0.948137 O\n0.107069 0.994451 0.386732 O\n0.892931 0.505549 0.886732 O\n0.892931 0.005549 0.613268 O\n0.107069 0.494451 0.113268 O\n0.674999 0.214681 0.701517 O\n0.325001 0.285319 0.201517 O\n0.325001 0.785319 0.298483 O\n0.674999 0.714681 0.798483 O\n0.252503 0.601417 0.734314 O\n0.747497 0.898583 0.234314 O\n0.747497 0.398583 0.265686 O\n0.252503 0.101417 0.765686 O\n0.867712 0.310483 0.278705 O\n0.132288 0.189517 0.778705 O\n0.132288 0.689517 0.721295 O\n0.867712 0.810483 0.221295 O\n",
            "nsites": 48,
            "nelements": 3,
            "elements": [
                "U",
                "C",
                "O"
            ],
            "chemical_system": "C-O-U",
            "density": 3.005397175853679,
            "density_atomic": 0.053488442465002985,
            "volume": 897.3901236964598,
            "volume_molar": 11.258770086528942,
            "formula_full": "U4 C8 O36",
            "formula_reduced": "UC2O9",
            "formula_anonymous": "AB2C9",
            "energy": -369.7079776,
            "energy_per_atom": -7.702249533333333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -363.9119776,
            "band_gap": 0.3328,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 4.0000003,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:56.235000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1227862",
            "created_at": "2022-09-04T14:43:14.725414Z",
            "structure_string": "Ba4 Sn8 S12\n1.0\n0.000000 4.273575 0.000000\n-0.072859 0.000000 13.155458\n11.984593 0.000000 -0.061039\nBa Sn S\n4 8 12\ndirect\n0.250000 0.146462 0.608239 Ba\n0.250000 0.477039 0.614134 Ba\n0.250000 0.809086 0.609952 Ba\n0.250000 0.023573 0.095233 Ba\n0.250000 0.366246 0.125111 Sn\n0.250000 0.700467 0.121588 Sn\n0.750000 0.210831 0.356967 Sn\n0.750000 0.539610 0.358875 Sn\n0.750000 0.871532 0.367210 Sn\n0.750000 0.295467 0.871885 Sn\n0.750000 0.624957 0.873119 Sn\n0.750000 0.961737 0.862051 Sn\n0.250000 0.164884 0.873693 S\n0.250000 0.497133 0.875731 S\n0.250000 0.835974 0.878488 S\n0.250000 0.995759 0.368998 S\n0.250000 0.342291 0.357971 S\n0.250000 0.670380 0.348358 S\n0.750000 0.189561 0.153037 S\n0.750000 0.503920 0.153276 S\n0.750000 0.837405 0.156516 S\n0.750000 0.978379 0.654771 S\n0.750000 0.311721 0.657038 S\n0.750000 0.645587 0.657755 S\n",
            "nsites": 24,
            "nelements": 3,
            "elements": [
                "Ba",
                "Sn",
                "S"
            ],
            "chemical_system": "Ba-S-Sn",
            "density": 4.642673800283255,
            "density_atomic": 0.03562073691163481,
            "volume": 673.7648370256168,
            "volume_molar": 16.906277865444682,
            "formula_full": "Ba4 Sn8 S12",
            "formula_reduced": "BaSn2S3",
            "formula_anonymous": "AB2C3",
            "energy": -118.46848803999998,
            "energy_per_atom": -4.936187001666666,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -112.43248803999998,
            "band_gap": 1.1834999999999996,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0172634,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:09.318000Z",
            "spacegroup": 6
        },
        {
            "id": "mp-532110",
            "created_at": "2022-09-04T14:43:08.913853Z",
            "structure_string": "Ti10 Fe14 O36\n1.0\n5.594008 0.000000 0.000000\n0.883854 9.145310 0.000000\n0.635038 0.390432 12.745856\nTi Fe O\n10 14 36\ndirect\n0.706115 0.241723 0.115747 Ti\n0.289073 0.762512 0.384500 Ti\n0.702472 0.568514 0.291571 Ti\n0.793053 0.932481 0.715134 Ti\n0.220216 0.067336 0.281727 Ti\n0.209275 0.734763 0.618887 Ti\n0.295656 0.427972 0.715115 Ti\n0.707039 0.235580 0.615134 Ti\n0.202921 0.410442 0.948192 Ti\n0.702182 0.899686 0.950827 Ti\n0.286566 0.094258 0.049612 Fe\n0.795136 0.600177 0.047593 Fe\n0.213357 0.736071 0.117719 Fe\n0.290146 0.429781 0.214508 Fe\n0.712560 0.909202 0.452352 Fe\n0.791440 0.595023 0.551525 Fe\n0.799784 0.925412 0.213721 Fe\n0.795407 0.266492 0.381596 Fe\n0.209686 0.070410 0.787164 Fe\n0.206304 0.402297 0.450273 Fe\n0.287269 0.096672 0.548608 Fe\n0.712720 0.572955 0.784972 Fe\n0.785406 0.260218 0.882566 Fe\n0.290084 0.764814 0.881590 Fe\n0.670040 0.440542 0.144066 O\n0.987300 0.227645 0.029027 O\n0.978452 0.444773 0.316758 O\n0.156407 0.513624 0.075587 O\n0.155195 0.628821 0.475397 O\n0.143268 0.956155 0.152414 O\n0.357389 0.201420 0.188354 O\n0.352544 0.659271 0.259464 O\n0.513968 0.403455 0.346590 O\n0.514347 0.732739 0.012006 O\n0.497448 0.942187 0.310476 O\n0.650308 0.684457 0.410236 O\n0.658065 0.010785 0.080206 O\n0.649264 0.126633 0.480242 O\n0.827692 0.710241 0.191547 O\n0.851083 0.818901 0.593206 O\n0.838431 0.156446 0.243380 O\n0.021183 0.896494 0.345812 O\n0.983125 0.107506 0.651293 O\n0.156042 0.844378 0.740818 O\n0.147023 0.175390 0.401959 O\n0.164356 0.295400 0.814408 O\n0.340186 0.869310 0.519270 O\n0.354574 0.988303 0.922618 O\n0.346089 0.319938 0.591975 O\n0.523933 0.058419 0.682950 O\n0.476936 0.606519 0.651489 O\n0.472487 0.271165 0.992620 O\n0.649755 0.347475 0.738837 O\n0.666138 0.795327 0.809874 O\n0.839124 0.039570 0.856379 O\n0.842901 0.371913 0.524040 O\n0.860154 0.478886 0.921577 O\n0.027642 0.559960 0.681981 O\n0.976433 0.774879 0.985402 O\n0.346851 0.536282 0.857113 O\n",
            "nsites": 60,
            "nelements": 3,
            "elements": [
                "Ti",
                "Fe",
                "O"
            ],
            "chemical_system": "Fe-O-Ti",
            "density": 4.67675263949571,
            "density_atomic": 0.09201544446526874,
            "volume": 652.0644479704384,
            "volume_molar": 6.544706483782795,
            "formula_full": "Ti10 Fe14 O36",
            "formula_reduced": "Ti5Fe7O18",
            "formula_anonymous": "A5B7C18",
            "energy": -506.5152749600001,
            "energy_per_atom": -8.441921249333335,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -450.19927496,
            "band_gap": 1.4127,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 3.8983872,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:02.041000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1180215",
            "created_at": "2022-09-04T14:43:14.729728Z",
            "structure_string": "N6 O3\n1.0\n2.342733 -4.057732 0.000000\n2.342733 4.057732 0.000000\n0.000000 0.000000 10.682784\nN O\n6 3\ndirect\n0.747913 0.132963 0.346326 N\n0.385050 0.252087 0.012993 N\n0.867037 0.614950 0.679659 N\n0.252087 0.385050 0.987007 N\n0.132963 0.747913 0.653674 N\n0.614950 0.867037 0.320341 N\n0.722776 0.000000 0.833333 O\n0.277224 0.277224 0.500000 O\n0.000000 0.722776 0.166667 O\n",
            "nsites": 9,
            "nelements": 2,
            "elements": [
                "N",
                "O"
            ],
            "chemical_system": "N-O",
            "density": 1.079515177103214,
            "density_atomic": 0.04431205706966034,
            "volume": 203.10499207589567,
            "volume_molar": 13.590298348219203,
            "formula_full": "N6 O3",
            "formula_reduced": "N2O",
            "formula_anonymous": "AB2",
            "energy": -57.79824121,
            "energy_per_atom": -6.4220268011111115,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -55.73724121,
            "band_gap": 0.9687000000000006,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 5.9949685,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:18.619000Z",
            "spacegroup": 152
        }
    ]
}