GET /third-parties/MatprojStructure/?format=api&ordering=-elements&page=10132
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=-elements&page=10133",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-elements&page=10131",
    "results": [
        {
            "id": "mp-685446",
            "created_at": "2022-09-04T14:47:06.344515Z",
            "structure_string": "Ba4 Nb32 O56\n1.0\n9.673722 0.000000 0.000000\n0.000000 10.450459 0.000000\n0.000000 5.178737 12.103216\nBa Nb O\n4 32 56\ndirect\n0.985807 0.620390 0.728081 Ba\n0.014193 0.379610 0.271919 Ba\n0.514193 0.120390 0.728081 Ba\n0.485807 0.879610 0.271919 Ba\n0.116516 0.661532 0.997342 Nb\n0.116436 0.041016 0.241046 Nb\n0.118423 0.287853 0.757736 Nb\n0.111922 0.725142 0.365865 Nb\n0.123068 0.110865 0.637357 Nb\n0.124897 0.991427 0.867911 Nb\n0.122261 0.853193 0.134272 Nb\n0.154028 0.918997 0.506957 Nb\n0.345972 0.418997 0.506957 Nb\n0.375103 0.491427 0.867911 Nb\n0.377739 0.353193 0.134272 Nb\n0.376932 0.610865 0.637357 Nb\n0.388078 0.225142 0.365865 Nb\n0.381577 0.787853 0.757736 Nb\n0.383564 0.541016 0.241046 Nb\n0.383484 0.161532 0.997342 Nb\n0.616516 0.838468 0.002658 Nb\n0.616436 0.458984 0.758954 Nb\n0.618423 0.212147 0.242264 Nb\n0.611922 0.774858 0.634135 Nb\n0.623068 0.389135 0.362643 Nb\n0.622261 0.646807 0.865728 Nb\n0.624897 0.508573 0.132089 Nb\n0.654028 0.581003 0.493043 Nb\n0.845972 0.081003 0.493043 Nb\n0.875103 0.008573 0.132089 Nb\n0.877739 0.146807 0.865728 Nb\n0.876932 0.889135 0.362643 Nb\n0.888078 0.274858 0.634135 Nb\n0.881577 0.712147 0.242264 Nb\n0.883564 0.958984 0.758954 Nb\n0.883484 0.338468 0.002658 Nb\n0.000000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.987066 0.229052 0.507431 O\n0.012934 0.770948 0.492569 O\n0.999701 0.569725 0.362238 O\n0.000971 0.948125 0.617314 O\n0.006979 0.810931 0.874389 O\n0.006312 0.682938 0.123686 O\n0.228134 0.819143 0.001260 O\n0.246824 0.468764 0.751212 O\n0.244459 0.217926 0.250128 O\n0.245603 0.521695 0.126695 O\n0.241650 0.645014 0.879917 O\n0.255903 0.275592 0.631596 O\n0.238251 0.902762 0.377498 O\n0.257213 0.585330 0.497720 O\n0.242787 0.085330 0.497720 O\n0.244097 0.775592 0.631596 O\n0.261749 0.402762 0.377498 O\n0.258350 0.145014 0.879917 O\n0.254397 0.021695 0.126695 O\n0.253176 0.968764 0.751212 O\n0.255541 0.717926 0.250128 O\n0.271866 0.319143 0.001260 O\n0.493688 0.182938 0.123686 O\n0.493021 0.310931 0.874389 O\n0.500299 0.069725 0.362238 O\n0.499029 0.448125 0.617314 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.487066 0.270948 0.492569 O\n0.512934 0.729052 0.507431 O\n0.500971 0.551875 0.382686 O\n0.499701 0.930275 0.637762 O\n0.506979 0.689069 0.125611 O\n0.506312 0.817062 0.876314 O\n0.728134 0.680857 0.998740 O\n0.746824 0.031236 0.248788 O\n0.744459 0.282074 0.749872 O\n0.745603 0.978305 0.873305 O\n0.741650 0.854986 0.120083 O\n0.738251 0.597238 0.622502 O\n0.755903 0.224408 0.368404 O\n0.757213 0.914670 0.502280 O\n0.742787 0.414670 0.502280 O\n0.761749 0.097238 0.622502 O\n0.744097 0.724408 0.368404 O\n0.754397 0.478305 0.873305 O\n0.758350 0.354986 0.120083 O\n0.753176 0.531236 0.248788 O\n0.755541 0.782074 0.749872 O\n0.771866 0.180857 0.998740 O\n0.993021 0.189069 0.125611 O\n0.993688 0.317062 0.876314 O\n0.999029 0.051875 0.382686 O\n0.000299 0.430275 0.637762 O\n",
            "nsites": 92,
            "nelements": 3,
            "elements": [
                "Ba",
                "Nb",
                "O"
            ],
            "chemical_system": "Ba-Nb-O",
            "density": 5.9961493082759585,
            "density_atomic": 0.0751896520343021,
            "volume": 1223.5726261644209,
            "volume_molar": 8.009268027005437,
            "formula_full": "Ba4 Nb32 O56",
            "formula_reduced": "BaNb8O14",
            "formula_anonymous": "AB8C14",
            "energy": -868.9451640200001,
            "energy_per_atom": -9.445056130652175,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -830.47316402,
            "band_gap": 0.1631,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0017416,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:57.809000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-774719",
            "created_at": "2022-09-04T14:39:07.254804Z",
            "structure_string": "Ba8 Nb6 O24\n1.0\n2.960860 -5.128359 0.000000\n2.960860 5.128359 0.000000\n0.000000 0.000000 19.458911\nBa Nb O\n8 6 24\ndirect\n0.000000 0.000000 0.009838 Ba\n0.000000 0.000000 0.509838 Ba\n0.333333 0.666667 0.145486 Ba\n0.333333 0.666667 0.369306 Ba\n0.333333 0.666667 0.743835 Ba\n0.666667 0.333333 0.243835 Ba\n0.666667 0.333333 0.645486 Ba\n0.666667 0.333333 0.869306 Ba\n0.000000 0.000000 0.303348 Nb\n0.000000 0.000000 0.803348 Nb\n0.333333 0.666667 0.564986 Nb\n0.333333 0.666667 0.936292 Nb\n0.666667 0.333333 0.064986 Nb\n0.666667 0.333333 0.436292 Nb\n0.005250 0.502625 0.994388 O\n0.994750 0.497375 0.494388 O\n0.163332 0.836668 0.258769 O\n0.176439 0.823561 0.616149 O\n0.169829 0.830171 0.877157 O\n0.163332 0.326664 0.258769 O\n0.176439 0.352879 0.616149 O\n0.169829 0.339658 0.877157 O\n0.673336 0.836668 0.258769 O\n0.647121 0.823561 0.616149 O\n0.660342 0.830171 0.877157 O\n0.497375 0.502625 0.994388 O\n0.502625 0.497375 0.494388 O\n0.352879 0.176439 0.116149 O\n0.339658 0.169829 0.377157 O\n0.326664 0.163332 0.758769 O\n0.497375 0.994750 0.994388 O\n0.502625 0.005250 0.494388 O\n0.823561 0.647121 0.116149 O\n0.830171 0.660342 0.377157 O\n0.836668 0.673336 0.758769 O\n0.823561 0.176439 0.116149 O\n0.830171 0.169829 0.377157 O\n0.836668 0.163332 0.758769 O\n",
            "nsites": 38,
            "nelements": 3,
            "elements": [
                "Ba",
                "Nb",
                "O"
            ],
            "chemical_system": "Ba-Nb-O",
            "density": 5.732485107169395,
            "density_atomic": 0.06430411668288054,
            "volume": 590.9419483576642,
            "volume_molar": 9.365093668417119,
            "formula_full": "Ba8 Nb6 O24",
            "formula_reduced": "Ba4Nb3O12",
            "formula_anonymous": "A3B4C12",
            "energy": -313.7314038,
            "energy_per_atom": -8.25608957368421,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -297.2434038,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 2.0004293,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:24.546000Z",
            "spacegroup": 186
        },
        {
            "id": "mp-3563",
            "created_at": "2022-09-04T14:42:40.315222Z",
            "structure_string": "Ba5 Nb4 O15\n1.0\n2.944360 -5.099781 0.000000\n2.944360 5.099781 0.000000\n0.000000 0.000000 12.002723\nBa Nb O\n5 4 15\ndirect\n0.666667 0.333333 0.570927 Ba\n0.333333 0.666667 0.429073 Ba\n0.666667 0.333333 0.208251 Ba\n0.333333 0.666667 0.791749 Ba\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.895094 Nb\n0.333333 0.666667 0.104906 Nb\n0.000000 0.000000 0.316611 Nb\n0.000000 0.000000 0.683389 Nb\n0.836231 0.163769 0.387275 O\n0.836231 0.672462 0.387275 O\n0.327538 0.163769 0.387275 O\n0.672462 0.836231 0.612725 O\n0.163769 0.327538 0.612725 O\n0.163769 0.836231 0.612725 O\n0.830680 0.169320 0.808233 O\n0.830680 0.661360 0.808233 O\n0.338640 0.169320 0.808233 O\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.169320 0.830680 0.191767 O\n0.169320 0.338640 0.191767 O\n0.661360 0.830680 0.191767 O\n",
            "nsites": 24,
            "nelements": 3,
            "elements": [
                "Ba",
                "Nb",
                "O"
            ],
            "chemical_system": "Ba-Nb-O",
            "density": 5.980751010960604,
            "density_atomic": 0.06658233581911228,
            "volume": 360.4559633534344,
            "volume_molar": 9.0446522878991,
            "formula_full": "Ba5 Nb4 O15",
            "formula_reduced": "Ba5Nb4O15",
            "formula_anonymous": "A4B5C15",
            "energy": -202.73682835,
            "energy_per_atom": -8.447367847916667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -192.43182835,
            "band_gap": 2.5999,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0008452,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:49.443000Z",
            "spacegroup": 164
        },
        {
            "id": "mp-19796",
            "created_at": "2022-09-04T14:47:22.323018Z",
            "structure_string": "Ba2 Nb5 O9\n1.0\n4.228391 0.000000 0.000000\n0.000000 4.228391 0.000000\n0.000000 0.000000 12.411373\nBa Nb O\n2 5 9\ndirect\n0.000000 0.000000 0.831348 Ba\n0.000000 0.000000 0.168652 Ba\n0.500000 0.500000 0.000000 Nb\n0.500000 0.500000 0.662675 Nb\n0.500000 0.500000 0.337325 Nb\n0.500000 0.000000 0.500000 Nb\n0.000000 0.500000 0.500000 Nb\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.838552 O\n0.500000 0.500000 0.161448 O\n0.000000 0.500000 0.672239 O\n0.500000 0.000000 0.672239 O\n0.000000 0.500000 0.327761 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.327761 O\n",
            "nsites": 16,
            "nelements": 3,
            "elements": [
                "Ba",
                "Nb",
                "O"
            ],
            "chemical_system": "Ba-Nb-O",
            "density": 6.608889062146433,
            "density_atomic": 0.07210242565495796,
            "volume": 221.90654273639953,
            "volume_molar": 8.35220272452221,
            "formula_full": "Ba2 Nb5 O9",
            "formula_reduced": "Ba2Nb5O9",
            "formula_anonymous": "A2B5C9",
            "energy": -144.89326655,
            "energy_per_atom": -9.055829159375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -138.71026655,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0320629,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:58.311000Z",
            "spacegroup": 123
        },
        {
            "id": "mp-1227948",
            "created_at": "2022-09-04T14:42:58.078830Z",
            "structure_string": "Ba1 Nb4 O14\n1.0\n6.580219 -3.807099 0.000000\n6.580219 3.807099 0.000000\n4.377557 0.000000 6.215326\nBa Nb O\n1 4 14\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Nb\n0.500000 0.000000 0.000000 Nb\n0.000000 0.000000 0.500000 Nb\n0.000000 0.500000 0.000000 Nb\n0.341848 0.341848 0.341848 O\n0.658152 0.658152 0.658152 O\n0.932412 0.309545 0.309545 O\n0.309414 0.940683 0.940683 O\n0.309545 0.309545 0.932412 O\n0.940683 0.940683 0.309414 O\n0.940683 0.309414 0.940683 O\n0.309545 0.932412 0.309545 O\n0.067588 0.690455 0.690455 O\n0.690586 0.059317 0.059317 O\n0.690455 0.690455 0.067588 O\n0.059317 0.059317 0.690586 O\n0.059317 0.690586 0.059317 O\n0.690455 0.067588 0.690455 O\n",
            "nsites": 19,
            "nelements": 3,
            "elements": [
                "Ba",
                "Nb",
                "O"
            ],
            "chemical_system": "Ba-Nb-O",
            "density": 3.9083327865407425,
            "density_atomic": 0.061013392607133135,
            "volume": 311.40704012873874,
            "volume_molar": 9.87019489110649,
            "formula_full": "Ba1 Nb4 O14",
            "formula_reduced": "BaNb4O14",
            "formula_anonymous": "AB4C14",
            "energy": -155.52971823,
            "energy_per_atom": -8.18577464368421,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -145.91171823,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 6.0005546,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:57.393000Z",
            "spacegroup": 166
        },
        {
            "id": "mp-1214396",
            "created_at": "2022-09-04T14:40:05.152405Z",
            "structure_string": "Ba4 Nb2 O9\n1.0\n3.013531 -5.219590 0.000000\n3.013531 5.219590 0.000000\n0.000000 0.000000 8.507970\nBa Nb O\n4 2 9\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.755050 Ba\n0.666667 0.333333 0.244950 Ba\n0.333333 0.666667 0.164043 Nb\n0.666667 0.333333 0.835957 Nb\n0.173974 0.826026 0.274461 O\n0.826026 0.173974 0.725539 O\n0.173974 0.347947 0.274461 O\n0.826026 0.652053 0.725539 O\n0.652053 0.826026 0.274461 O\n0.347947 0.173974 0.725539 O\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
            "nsites": 15,
            "nelements": 3,
            "elements": [
                "Ba",
                "Nb",
                "O"
            ],
            "chemical_system": "Ba-Nb-O",
            "density": 5.4541486005471205,
            "density_atomic": 0.05604324319245633,
            "volume": 267.65046320551033,
            "volume_molar": 10.745525092685227,
            "formula_full": "Ba4 Nb2 O9",
            "formula_reduced": "Ba4Nb2O9",
            "formula_anonymous": "A2B4C9",
            "energy": -120.20354852,
            "energy_per_atom": -8.013569901333334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -114.02054852,
            "band_gap": 2.9081,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 7.9e-06,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:46.739000Z",
            "spacegroup": 164
        },
        {
            "id": "mp-1205468",
            "created_at": "2022-09-04T14:40:57.333654Z",
            "structure_string": "Ba8 Nb64 O112\n1.0\n9.584590 -0.000000 0.000000\n0.000000 10.501624 0.000000\n0.000000 0.000000 24.065543\nBa Nb O\n8 64 112\ndirect\n0.006655 0.012199 0.135366 Ba\n0.506655 0.987801 0.364634 Ba\n0.993345 0.487801 0.635366 Ba\n0.493345 0.512199 0.864634 Ba\n0.993345 0.987801 0.864634 Ba\n0.493345 0.012199 0.635366 Ba\n0.006655 0.512199 0.364634 Ba\n0.506655 0.487801 0.135366 Ba\n0.625464 0.075904 0.067074 Nb\n0.125464 0.924096 0.432926 Nb\n0.374536 0.424096 0.567074 Nb\n0.874536 0.575904 0.932926 Nb\n0.374536 0.924096 0.932926 Nb\n0.874536 0.075904 0.567074 Nb\n0.625464 0.575904 0.432926 Nb\n0.125464 0.424096 0.067074 Nb\n0.375763 0.921327 0.066193 Nb\n0.875763 0.078673 0.433807 Nb\n0.624237 0.578673 0.566193 Nb\n0.124237 0.421327 0.933807 Nb\n0.624237 0.078673 0.933807 Nb\n0.124237 0.921327 0.566193 Nb\n0.375763 0.421327 0.433807 Nb\n0.875763 0.578673 0.066193 Nb\n0.376423 0.926426 0.182256 Nb\n0.876423 0.073574 0.317744 Nb\n0.623577 0.573574 0.682256 Nb\n0.123577 0.426426 0.817744 Nb\n0.623577 0.073574 0.817744 Nb\n0.123577 0.926426 0.682256 Nb\n0.376423 0.426426 0.317744 Nb\n0.876423 0.573574 0.182256 Nb\n0.381695 0.161184 0.120380 Nb\n0.881695 0.838816 0.379620 Nb\n0.618305 0.338816 0.620380 Nb\n0.118305 0.661184 0.879620 Nb\n0.618305 0.838816 0.879620 Nb\n0.118305 0.161184 0.620380 Nb\n0.381695 0.661184 0.379620 Nb\n0.881695 0.338816 0.120380 Nb\n0.361739 0.186080 0.253205 Nb\n0.861739 0.813920 0.246795 Nb\n0.638261 0.313920 0.753205 Nb\n0.138261 0.686080 0.746795 Nb\n0.638261 0.813920 0.746795 Nb\n0.138261 0.186080 0.753205 Nb\n0.361739 0.686080 0.246795 Nb\n0.861739 0.313920 0.253205 Nb\n0.116703 0.160922 0.999082 Nb\n0.616703 0.839078 0.500918 Nb\n0.883297 0.339078 0.499082 Nb\n0.383297 0.660922 0.000918 Nb\n0.883297 0.839078 0.000918 Nb\n0.383297 0.160922 0.499082 Nb\n0.116703 0.660922 0.500918 Nb\n0.616703 0.339078 0.999082 Nb\n0.616996 0.835241 0.123794 Nb\n0.116996 0.164759 0.376206 Nb\n0.383004 0.664759 0.623794 Nb\n0.883004 0.335241 0.876206 Nb\n0.383004 0.164759 0.876206 Nb\n0.883004 0.835241 0.623794 Nb\n0.616996 0.335241 0.376206 Nb\n0.116996 0.664759 0.123794 Nb\n0.624060 0.075181 0.182905 Nb\n0.124060 0.924819 0.317095 Nb\n0.375940 0.424819 0.682905 Nb\n0.875940 0.575181 0.817095 Nb\n0.375940 0.924819 0.817095 Nb\n0.875940 0.075181 0.682905 Nb\n0.624060 0.575181 0.317095 Nb\n0.124060 0.424819 0.182905 Nb\n0.492610 0.746763 0.063579 O\n0.992610 0.253237 0.436421 O\n0.507390 0.753237 0.563579 O\n0.007390 0.246763 0.936421 O\n0.507390 0.253237 0.936421 O\n0.007390 0.746763 0.563579 O\n0.492610 0.246763 0.436421 O\n0.992610 0.753237 0.063579 O\n0.750452 0.908840 0.187971 O\n0.250452 0.091160 0.312029 O\n0.249548 0.591160 0.687971 O\n0.749548 0.408840 0.812029 O\n0.249548 0.091160 0.812029 O\n0.749548 0.908840 0.687971 O\n0.750452 0.408840 0.312029 O\n0.250452 0.591160 0.187971 O\n0.490952 0.752578 0.187399 O\n0.990952 0.247422 0.312601 O\n0.509048 0.747422 0.687399 O\n0.009048 0.252578 0.812601 O\n0.509048 0.247422 0.812601 O\n0.009048 0.752578 0.687399 O\n0.490952 0.252578 0.312601 O\n0.990952 0.747422 0.187399 O\n0.756118 0.913627 0.062898 O\n0.256118 0.086373 0.437102 O\n0.243882 0.586373 0.562898 O\n0.743882 0.413627 0.937102 O\n0.243882 0.086373 0.937102 O\n0.743882 0.913627 0.562898 O\n0.756118 0.413627 0.437102 O\n0.256118 0.586373 0.062898 O\n0.239801 0.847448 0.124472 O\n0.739801 0.152552 0.375528 O\n0.760199 0.652552 0.624472 O\n0.260199 0.347448 0.875528 O\n0.760199 0.152552 0.875528 O\n0.260199 0.847448 0.624472 O\n0.239801 0.347448 0.375528 O\n0.739801 0.652552 0.124472 O\n0.755889 0.158086 0.125131 O\n0.255889 0.841914 0.374869 O\n0.244111 0.341914 0.625131 O\n0.744111 0.658086 0.874869 O\n0.244111 0.841914 0.874869 O\n0.744111 0.158086 0.625131 O\n0.755889 0.658086 0.374869 O\n0.255889 0.341914 0.125131 O\n0.487402 0.017457 0.246870 O\n0.987402 0.982543 0.253130 O\n0.512598 0.482543 0.746870 O\n0.012598 0.517457 0.753130 O\n0.512598 0.982543 0.753130 O\n0.012598 0.017457 0.746870 O\n0.487402 0.517457 0.253130 O\n0.987402 0.482543 0.246870 O\n0.493332 0.238189 0.188707 O\n0.993332 0.761811 0.311293 O\n0.506668 0.261811 0.688707 O\n0.006668 0.738189 0.811293 O\n0.506668 0.761811 0.811293 O\n0.006668 0.238189 0.688707 O\n0.493332 0.738189 0.311293 O\n0.993332 0.261811 0.188707 O\n0.754374 0.162645 0.248533 O\n0.254374 0.837355 0.251467 O\n0.245626 0.337355 0.748533 O\n0.745626 0.662645 0.751467 O\n0.245626 0.837355 0.751467 O\n0.745626 0.162645 0.748533 O\n0.754374 0.662645 0.251467 O\n0.254374 0.337355 0.248533 O\n0.500000 -0.000000 0.000000 O\n0.000000 -0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n-0.000000 0.500000 0.000000 O\n0.507132 0.252931 0.062404 O\n0.007132 0.747069 0.437596 O\n0.492868 0.247069 0.562404 O\n0.992868 0.752931 0.937596 O\n0.492868 0.747069 0.937596 O\n0.992868 0.252931 0.562404 O\n0.507132 0.752931 0.437596 O\n0.007132 0.247069 0.062404 O\n0.730187 0.181520 0.000403 O\n0.230187 0.818480 0.499597 O\n0.269813 0.318480 0.500403 O\n0.769813 0.681520 0.999597 O\n0.269813 0.818480 0.999597 O\n0.769813 0.181520 0.500403 O\n0.730187 0.681520 0.499597 O\n0.230187 0.318480 0.000403 O\n0.241246 0.085255 0.061710 O\n0.741246 0.914745 0.438290 O\n0.758754 0.414745 0.561710 O\n0.258754 0.585255 0.938290 O\n0.758754 0.914745 0.938290 O\n0.258754 0.085255 0.561710 O\n0.241246 0.585255 0.438290 O\n0.741246 0.414745 0.061710 O\n0.257987 0.094129 0.188100 O\n0.757987 0.905871 0.311900 O\n0.742013 0.405871 0.688100 O\n0.242013 0.594129 0.811900 O\n0.742013 0.905871 0.811900 O\n0.242013 0.094129 0.688100 O\n0.257987 0.594129 0.311900 O\n0.757987 0.405871 0.188100 O\n-0.000000 -0.000000 0.000000 O\n0.500000 -0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
            "nsites": 184,
            "nelements": 3,
            "elements": [
                "Ba",
                "Nb",
                "O"
            ],
            "chemical_system": "Ba-Nb-O",
            "density": 6.057682635726313,
            "density_atomic": 0.07596125881752863,
            "volume": 2422.287398396044,
            "volume_molar": 7.9279106925625955,
            "formula_full": "Ba8 Nb64 O112",
            "formula_reduced": "BaNb8O14",
            "formula_anonymous": "AB8C14",
            "energy": -1742.82485059,
            "energy_per_atom": -9.471874187989131,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1665.88085059,
            "band_gap": 0.3046000000000006,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0002916,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:01.474000Z",
            "spacegroup": 61
        },
        {
            "id": "mp-505517",
            "created_at": "2022-09-04T14:46:25.865942Z",
            "structure_string": "Ba1 Nb4 O6\n1.0\n4.242957 0.000000 0.000000\n0.000000 4.242957 0.000000\n0.000000 0.000000 8.301189\nBa Nb O\n1 4 6\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.000000 0.500000 Nb\n0.000000 0.500000 0.500000 Nb\n0.500000 0.500000 0.253557 Nb\n0.500000 0.500000 0.746443 Nb\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.243110 O\n0.000000 0.500000 0.243110 O\n0.500000 0.000000 0.756890 O\n0.000000 0.500000 0.756890 O\n0.000000 0.000000 0.500000 O\n",
            "nsites": 11,
            "nelements": 3,
            "elements": [
                "Ba",
                "Nb",
                "O"
            ],
            "chemical_system": "Ba-Nb-O",
            "density": 6.721872032921708,
            "density_atomic": 0.07360632286713732,
            "volume": 149.44368325334617,
            "volume_molar": 8.181553602222776,
            "formula_full": "Ba1 Nb4 O6",
            "formula_reduced": "BaNb4O6",
            "formula_anonymous": "AB4C6",
            "energy": -102.0219888,
            "energy_per_atom": -9.274726254545454,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -97.8999888,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 8.6e-06,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:37.221000Z",
            "spacegroup": 123
        },
        {
            "id": "mp-1191444",
            "created_at": "2022-09-04T14:44:41.268552Z",
            "structure_string": "Ba1 Nb6 O17\n1.0\n-1.931423 4.427061 10.657906\n1.931423 -4.427061 10.657906\n1.931423 4.427061 -10.657906\nBa Nb O\n1 6 17\ndirect\n0.000000 0.000000 0.000000 Ba\n0.179568 0.372666 0.806902 Nb\n0.434236 0.627334 0.806902 Nb\n0.565764 0.372666 0.193098 Nb\n0.820432 0.627334 0.193098 Nb\n0.740119 0.240119 0.500000 Nb\n0.259881 0.759881 0.500000 Nb\n0.185758 0.848234 0.337524 O\n0.489290 0.151766 0.337524 O\n0.510710 0.848234 0.662476 O\n0.814242 0.151766 0.662476 O\n0.098845 0.433011 0.665835 O\n0.232824 0.566989 0.665835 O\n0.767176 0.433011 0.334165 O\n0.901155 0.566989 0.334165 O\n0.953982 0.295192 0.658790 O\n0.363598 0.704808 0.658790 O\n0.636402 0.295192 0.341210 O\n0.046018 0.704808 0.341210 O\n0.288248 0.288248 0.000000 O\n0.711752 0.711752 0.000000 O\n0.418369 0.418369 0.000000 O\n0.581631 0.581631 0.000000 O\n0.500000 0.000000 0.500000 O\n",
            "nsites": 24,
            "nelements": 3,
            "elements": [
                "Ba",
                "Nb",
                "O"
            ],
            "chemical_system": "Ba-Nb-O",
            "density": 4.403933764042547,
            "density_atomic": 0.0658394902682801,
            "volume": 364.5228707301009,
            "volume_molar": 9.146700157399799,
            "formula_full": "Ba1 Nb6 O17",
            "formula_reduced": "BaNb6O17",
            "formula_anonymous": "AB6C17",
            "energy": -215.94793953000004,
            "energy_per_atom": -8.997830813750001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -204.26893953,
            "band_gap": 1.1974,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.999402,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:41.449000Z",
            "spacegroup": 71
        },
        {
            "id": "mp-542201",
            "created_at": "2022-09-04T14:45:16.779658Z",
            "structure_string": "Ba3 Nb2 O8\n1.0\n7.410185 -3.085391 0.000000\n7.410185 3.085391 0.000000\n6.125515 0.000000 5.187345\nBa Nb O\n3 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.800815 0.800815 0.800815 Ba\n0.199185 0.199185 0.199185 Ba\n0.405801 0.405801 0.405801 Nb\n0.594199 0.594199 0.594199 Nb\n0.268039 0.268039 0.767277 O\n0.268039 0.767277 0.268039 O\n0.767277 0.268039 0.268039 O\n0.731961 0.731961 0.232723 O\n0.731961 0.232723 0.731961 O\n0.232723 0.731961 0.731961 O\n0.319489 0.319489 0.319489 O\n0.680511 0.680511 0.680511 O\n",
            "nsites": 13,
            "nelements": 3,
            "elements": [
                "Ba",
                "Nb",
                "O"
            ],
            "chemical_system": "Ba-Nb-O",
            "density": 5.080951714366268,
            "density_atomic": 0.05480610831835523,
            "volume": 237.19983773498734,
            "volume_molar": 10.988083162225026,
            "formula_full": "Ba3 Nb2 O8",
            "formula_reduced": "Ba3Nb2O8",
            "formula_anonymous": "A2B3C8",
            "energy": -107.92303604,
            "energy_per_atom": -8.301772003076923,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -102.42703604,
            "band_gap": 4.499700000000001,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 7.36e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:04.274000Z",
            "spacegroup": 166
        },
        {
            "id": "mp-1229163",
            "created_at": "2022-09-04T14:45:09.018075Z",
            "structure_string": "Ba4 Nb25 O40\n1.0\n4.152923 0.000000 0.000000\n0.000000 6.703953 0.000000\n0.000000 0.059055 33.539922\nBa Nb O\n4 25 40\ndirect\n0.000000 0.000618 0.801166 Ba\n0.000000 0.000192 0.600103 Ba\n0.000000 0.999808 0.399897 Ba\n0.000000 0.999382 0.198834 Ba\n0.000000 0.500061 0.699945 Nb\n0.000000 0.500000 0.500000 Nb\n0.000000 0.499939 0.300055 Nb\n0.000000 0.498731 0.099615 Nb\n0.000000 0.501269 0.900385 Nb\n0.500000 0.211250 0.719690 Nb\n0.500000 0.211494 0.519407 Nb\n0.500000 0.211102 0.319399 Nb\n0.500000 0.208759 0.119959 Nb\n0.500000 0.204673 0.923762 Nb\n0.500000 0.788898 0.680601 Nb\n0.500000 0.788506 0.480593 Nb\n0.500000 0.788750 0.280310 Nb\n0.500000 0.795327 0.076238 Nb\n0.500000 0.791241 0.880041 Nb\n0.500000 0.596859 0.758195 Nb\n0.500000 0.597582 0.557804 Nb\n0.500000 0.597213 0.357756 Nb\n0.500000 0.601245 0.157086 Nb\n0.500000 0.616857 0.960120 Nb\n0.500000 0.402787 0.642244 Nb\n0.500000 0.402418 0.442196 Nb\n0.500000 0.403141 0.241805 Nb\n0.500000 0.383143 0.039880 Nb\n0.500000 0.398755 0.842914 Nb\n0.500000 0.299199 0.780067 O\n0.500000 0.299869 0.579949 O\n0.500000 0.299707 0.380053 O\n0.500000 0.302825 0.180401 O\n0.500000 0.309081 0.978990 O\n0.500000 0.700293 0.619947 O\n0.500000 0.700131 0.420051 O\n0.500000 0.700801 0.219933 O\n0.500000 0.690919 0.021010 O\n0.500000 0.697175 0.819599 O\n0.500000 0.899616 0.739903 O\n0.500000 0.900270 0.540014 O\n0.500000 0.899744 0.340024 O\n0.500000 0.898550 0.139568 O\n0.500000 0.900215 0.938176 O\n0.500000 0.100256 0.659976 O\n0.500000 0.099730 0.459986 O\n0.500000 0.100384 0.260097 O\n0.500000 0.099785 0.061824 O\n0.500000 0.101450 0.860432 O\n0.000000 0.203725 0.722044 O\n0.000000 0.203712 0.522163 O\n0.000000 0.203692 0.322247 O\n0.000000 0.204760 0.123131 O\n0.000000 0.205060 0.920960 O\n0.000000 0.796308 0.677753 O\n0.000000 0.796288 0.477837 O\n0.000000 0.796275 0.277956 O\n0.000000 0.794940 0.079040 O\n0.000000 0.795240 0.876869 O\n0.000000 0.610700 0.759191 O\n0.000000 0.610631 0.559288 O\n0.000000 0.610543 0.359356 O\n0.000000 0.611236 0.159060 O\n0.000000 0.607987 0.959124 O\n0.000000 0.389457 0.640644 O\n0.000000 0.389369 0.440712 O\n0.000000 0.389300 0.240809 O\n0.000000 0.392013 0.040876 O\n0.000000 0.388764 0.840940 O\n",
            "nsites": 69,
            "nelements": 3,
            "elements": [
                "Ba",
                "Nb",
                "O"
            ],
            "chemical_system": "Ba-Nb-O",
            "density": 6.24524858734365,
            "density_atomic": 0.07389281348104976,
            "volume": 933.7849886808742,
            "volume_molar": 8.149832813639465,
            "formula_full": "Ba4 Nb25 O40",
            "formula_reduced": "Ba4Nb25O40",
            "formula_anonymous": "A4B25C40",
            "energy": -649.68306753,
            "energy_per_atom": -9.415696630869565,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -622.20306753,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0014159,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:47.561000Z",
            "spacegroup": 10
        },
        {
            "id": "mp-28150",
            "created_at": "2022-09-04T14:41:09.174312Z",
            "structure_string": "Ba2 Nb4 O12\n1.0\n6.140931 0.000000 0.000000\n0.000000 4.010429 0.000000\n0.000000 0.064161 10.676035\nBa Nb O\n2 4 12\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.000000 0.500000 Ba\n0.544865 0.466956 0.150161 Nb\n0.044865 0.533044 0.349839 Nb\n0.455135 0.533044 0.849839 Nb\n0.955135 0.466956 0.650161 Nb\n0.585161 0.997881 0.150329 O\n0.085161 0.002119 0.349671 O\n0.414839 0.002119 0.849671 O\n0.914839 0.997881 0.650329 O\n0.883079 0.502193 0.197184 O\n0.383079 0.497807 0.302816 O\n0.800773 0.503520 0.462811 O\n0.300773 0.496480 0.037189 O\n0.199227 0.496480 0.537189 O\n0.699227 0.503520 0.962811 O\n0.616921 0.502193 0.697184 O\n0.116921 0.497807 0.802816 O\n",
            "nsites": 18,
            "nelements": 3,
            "elements": [
                "Ba",
                "Nb",
                "O"
            ],
            "chemical_system": "Ba-Nb-O",
            "density": 5.294185871731757,
            "density_atomic": 0.0684600901200479,
            "volume": 262.9269106779757,
            "volume_molar": 8.796571476081759,
            "formula_full": "Ba2 Nb4 O12",
            "formula_reduced": "BaNb2O6",
            "formula_anonymous": "AB2C6",
            "energy": -161.50848347,
            "energy_per_atom": -8.97269352611111,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -153.26448346999996,
            "band_gap": 2.6146,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 4.9e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:24.027000Z",
            "spacegroup": 14
        }
    ]
}