GET /third-parties/MatprojStructure/?format=api&ordering=is_theoretical&page=12186
HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept

{
    "count": 146323,
    "next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_theoretical&page=12187",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_theoretical&page=12185",
    "results": [
        {
            "id": "mp-1073900",
            "created_at": "2022-09-04T14:43:06.730448Z",
            "structure_string": "Mg12 Si10\n1.0\n4.506193 0.000000 0.000000\n-0.992364 -6.830823 0.000000\n-1.659793 0.105794 -14.097651\nMg Si\n12 10\ndirect\n0.945798 0.699372 0.027566 Mg\n0.718063 0.674942 0.493243 Mg\n0.135281 0.479972 0.349816 Mg\n0.328242 0.820168 0.645063 Mg\n0.151477 0.145136 0.782664 Mg\n0.521519 0.492216 0.168198 Mg\n0.202939 0.977302 0.418636 Mg\n0.197472 0.385310 0.576962 Mg\n0.624192 0.933920 0.883281 Mg\n0.571625 0.968036 0.113843 Mg\n0.114494 0.198104 0.014780 Mg\n0.746346 0.399012 0.863691 Mg\n0.791192 0.044707 0.559909 Si\n0.655562 0.293092 0.447777 Si\n0.122338 0.161710 0.213841 Si\n0.339279 0.555177 0.940378 Si\n0.795517 0.570923 0.677439 Si\n0.624785 0.794308 0.307220 Si\n0.065321 0.789686 0.216868 Si\n0.643750 0.217645 0.692586 Si\n0.061083 0.749366 0.817246 Si\n0.647155 0.153585 0.292631 Si\n",
            "nsites": 22,
            "nelements": 2,
            "elements": [
                "Mg",
                "Si"
            ],
            "chemical_system": "Mg-Si",
            "density": 2.1908184594041655,
            "density_atomic": 0.050698265936673634,
            "volume": 433.9398911094876,
            "volume_molar": 11.878395934729124,
            "formula_full": "Mg12 Si10",
            "formula_reduced": "Mg6Si5",
            "formula_anonymous": "A5B6",
            "energy": -70.86323549000001,
            "energy_per_atom": -3.221056158636364,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -71.57323549,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0005166,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:12.547000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1186425",
            "created_at": "2022-09-04T14:43:06.936358Z",
            "structure_string": "Pb3 S1\n1.0\n4.840208 0.000000 0.000000\n0.000000 4.840208 0.000000\n0.000000 0.000000 4.840208\nPb S\n3 1\ndirect\n0.000000 0.500000 0.500000 Pb\n0.500000 0.000000 0.500000 Pb\n0.500000 0.500000 0.000000 Pb\n0.000000 0.000000 0.000000 S\n",
            "nsites": 4,
            "nelements": 2,
            "elements": [
                "Pb",
                "S"
            ],
            "chemical_system": "Pb-S",
            "density": 9.572210790127388,
            "density_atomic": 0.03527507257231695,
            "volume": 113.39452220260226,
            "volume_molar": 17.071944352925403,
            "formula_full": "Pb3 S1",
            "formula_reduced": "Pb3S",
            "formula_anonymous": "AB3",
            "energy": -15.52973432,
            "energy_per_atom": -3.88243358,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -15.02673432,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0021568,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:08.340000Z",
            "spacegroup": 221
        },
        {
            "id": "mp-684066",
            "created_at": "2022-09-04T14:43:07.087263Z",
            "structure_string": "Li4 Ti2 P10 O30\n1.0\n9.621627 0.000000 0.000000\n0.000000 5.333080 0.000000\n0.000000 4.341531 12.598783\nLi Ti P O\n4 2 10 30\ndirect\n0.603081 0.934708 0.937927 Li\n0.410569 0.055752 0.072167 Li\n0.396919 0.934708 0.437927 Li\n0.589431 0.055752 0.572167 Li\n0.995302 0.009834 0.995268 Ti\n0.004698 0.009834 0.495268 Ti\n0.477264 0.515786 0.862054 P\n0.987216 0.017559 0.245266 P\n0.012784 0.017559 0.745266 P\n0.823297 0.602059 0.406219 P\n0.184496 0.414594 0.586385 P\n0.522736 0.515786 0.362054 P\n0.520028 0.471589 0.143563 P\n0.176703 0.602059 0.906219 P\n0.479972 0.471589 0.643563 P\n0.815504 0.414594 0.086385 P\n0.139724 0.273478 0.509469 O\n0.881170 0.767994 0.289351 O\n0.420638 0.489236 0.753006 O\n0.938385 0.984229 0.650860 O\n0.343052 0.340739 0.607578 O\n0.661635 0.650765 0.394127 O\n0.142349 0.312360 0.932830 O\n0.061615 0.984229 0.150860 O\n0.839840 0.709406 0.052657 O\n0.506075 0.237777 0.436668 O\n0.408714 0.711442 0.349330 O\n0.591286 0.711442 0.849330 O\n0.885298 0.273575 0.201334 O\n0.504436 0.749236 0.069213 O\n0.495564 0.749236 0.569213 O\n0.128116 0.737973 0.983922 O\n0.160160 0.709406 0.552657 O\n0.857651 0.312360 0.432830 O\n0.405675 0.275469 0.157536 O\n0.933283 0.049041 0.837670 O\n0.338365 0.650765 0.894127 O\n0.066717 0.049041 0.337670 O\n0.860276 0.273478 0.009469 O\n0.493925 0.237777 0.936668 O\n0.656948 0.340739 0.107578 O\n0.594325 0.275469 0.657536 O\n0.114702 0.273575 0.701334 O\n0.579362 0.489236 0.253006 O\n0.118830 0.767994 0.789351 O\n0.871884 0.737973 0.483922 O\n",
            "nsites": 46,
            "nelements": 4,
            "elements": [
                "Li",
                "Ti",
                "P",
                "O"
            ],
            "chemical_system": "Li-O-P-Ti",
            "density": 2.3456767809162304,
            "density_atomic": 0.0711545408884086,
            "volume": 646.4801743593797,
            "volume_molar": 8.463466540307667,
            "formula_full": "Li4 Ti2 P10 O30",
            "formula_reduced": "Li2Ti(PO3)5",
            "formula_anonymous": "AB2C5D15",
            "energy": -350.73777858,
            "energy_per_atom": -7.624734316956522,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -330.12777858,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.9733524,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:01.312000Z",
            "spacegroup": 7
        },
        {
            "id": "mp-1336703",
            "created_at": "2022-09-04T14:43:15.734415Z",
            "structure_string": "Al20 Bi12 Se48\n1.0\n7.911347 0.000000 0.000000\n0.000000 7.911347 0.000000\n0.000000 0.000000 37.767853\nAl Bi Se\n20 12 48\ndirect\n0.000000 0.000000 0.832943 Al\n0.000000 0.000000 0.167057 Al\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.917096 Al\n0.000000 0.000000 0.582904 Al\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.332943 Al\n0.000000 0.000000 0.667057 Al\n0.500000 0.500000 0.082646 Al\n0.500000 0.500000 0.417354 Al\n0.500000 0.500000 0.750000 Al\n0.500000 0.500000 0.333032 Al\n0.500000 0.500000 0.666968 Al\n0.500000 0.500000 0.833032 Al\n0.500000 0.500000 0.166968 Al\n0.000000 0.000000 0.082904 Al\n0.000000 0.000000 0.417096 Al\n0.500000 0.500000 0.917354 Al\n0.500000 0.500000 0.250000 Al\n0.500000 0.500000 0.582646 Al\n0.000000 0.500000 0.874853 Bi\n0.000000 0.500000 0.208681 Bi\n0.000000 0.500000 0.541677 Bi\n0.500000 0.000000 0.125147 Bi\n0.500000 0.000000 0.458323 Bi\n0.500000 0.000000 0.791319 Bi\n0.500000 0.000000 0.041677 Bi\n0.500000 0.000000 0.374853 Bi\n0.500000 0.000000 0.708681 Bi\n0.000000 0.500000 0.958323 Bi\n0.000000 0.500000 0.291319 Bi\n0.000000 0.500000 0.625147 Bi\n0.337313 0.668283 0.874575 Se\n0.336830 0.668705 0.208518 Se\n0.334285 0.661224 0.542203 Se\n0.338776 0.665715 0.042203 Se\n0.331717 0.662687 0.374575 Se\n0.331295 0.663170 0.708518 Se\n0.836926 0.831169 0.041605 Se\n0.836932 0.832529 0.375634 Se\n0.833321 0.841429 0.707772 Se\n0.662687 0.331717 0.874575 Se\n0.663170 0.331295 0.208518 Se\n0.665715 0.338776 0.542203 Se\n0.331717 0.337313 0.125425 Se\n0.338776 0.334285 0.457797 Se\n0.331295 0.336830 0.791482 Se\n0.168831 0.836926 0.958395 Se\n0.158571 0.833321 0.292228 Se\n0.167471 0.836932 0.624366 Se\n0.334285 0.338776 0.957797 Se\n0.336830 0.331295 0.291482 Se\n0.337313 0.331717 0.625425 Se\n0.832529 0.836932 0.875634 Se\n0.841429 0.833321 0.207772 Se\n0.831169 0.836926 0.541605 Se\n0.831169 0.163074 0.958395 Se\n0.841429 0.166679 0.292228 Se\n0.832529 0.163068 0.624366 Se\n0.668283 0.662687 0.125425 Se\n0.661224 0.665715 0.457797 Se\n0.668705 0.663170 0.791482 Se\n0.167471 0.163068 0.875634 Se\n0.158571 0.166679 0.207772 Se\n0.168831 0.163074 0.541605 Se\n0.661224 0.334285 0.042203 Se\n0.668283 0.337313 0.374575 Se\n0.668705 0.336830 0.708518 Se\n0.163074 0.168831 0.041605 Se\n0.163068 0.167471 0.375634 Se\n0.166679 0.158571 0.707772 Se\n0.836932 0.167471 0.124366 Se\n0.836926 0.168831 0.458395 Se\n0.833321 0.158571 0.792228 Se\n0.163068 0.832529 0.124366 Se\n0.163074 0.831169 0.458395 Se\n0.166679 0.841429 0.792228 Se\n0.665715 0.661224 0.957797 Se\n0.663170 0.668705 0.291482 Se\n0.662687 0.668283 0.625425 Se\n",
            "nsites": 80,
            "nelements": 3,
            "elements": [
                "Al",
                "Bi",
                "Se"
            ],
            "chemical_system": "Al-Bi-Se",
            "density": 4.803101021599899,
            "density_atomic": 0.03384284172365624,
            "volume": 2363.8676873898503,
            "volume_molar": 17.794429939346696,
            "formula_full": "Al20 Bi12 Se48",
            "formula_reduced": "Al5(BiSe4)3",
            "formula_anonymous": "A3B5C12",
            "energy": -354.09626047000006,
            "energy_per_atom": -4.426203255875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -331.44026047,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 9.4053736,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:10.012000Z",
            "spacegroup": 112
        },
        {
            "id": "mp-1239211",
            "created_at": "2022-09-04T14:43:06.634476Z",
            "structure_string": "Ti4 Cr4 Cu4 S16\n1.0\n3.412047 0.000000 0.000000\n0.000000 11.100345 0.000000\n0.000000 0.000000 12.446231\nTi Cr Cu S\n4 4 4 16\ndirect\n0.000000 0.800825 0.111677 Ti\n0.500000 0.199175 0.611677 Ti\n0.500000 0.663796 0.422127 Ti\n0.000000 0.336204 0.922127 Ti\n0.500000 0.697752 0.878622 Cr\n0.000000 0.302248 0.378622 Cr\n0.000000 0.836600 0.586507 Cr\n0.500000 0.163400 0.086507 Cr\n0.500000 0.481456 0.677997 Cu\n0.000000 0.026700 0.329165 Cu\n0.000000 0.518544 0.177997 Cu\n0.500000 0.973300 0.829165 Cu\n0.000000 0.688835 0.286656 S\n0.500000 0.811041 0.712455 S\n0.500000 0.311165 0.786656 S\n0.000000 0.188959 0.212455 S\n0.500000 0.649527 0.065420 S\n0.000000 0.846873 0.926285 S\n0.000000 0.350473 0.565420 S\n0.500000 0.153127 0.426285 S\n0.000000 0.626023 0.556496 S\n0.500000 0.872137 0.451057 S\n0.500000 0.373977 0.056496 S\n0.000000 0.127863 0.951057 S\n0.000000 0.557309 0.835413 S\n0.500000 0.946182 0.160122 S\n0.500000 0.442691 0.335413 S\n0.000000 0.053818 0.660122 S\n",
            "nsites": 28,
            "nelements": 4,
            "elements": [
                "Ti",
                "Cr",
                "Cu",
                "S"
            ],
            "chemical_system": "Cr-Cu-S-Ti",
            "density": 4.109700483048012,
            "density_atomic": 0.059397571971921415,
            "volume": 471.39974026608763,
            "volume_molar": 10.1386985361065,
            "formula_full": "Ti4 Cr4 Cu4 S16",
            "formula_reduced": "TiCrCuS4",
            "formula_anonymous": "ABCD4",
            "energy": -180.33097372,
            "energy_per_atom": -6.440391918571429,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -172.28297372,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 12.0029018,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:00.561000Z",
            "spacegroup": 31
        },
        {
            "id": "mp-1225882",
            "created_at": "2022-09-04T14:43:06.637119Z",
            "structure_string": "Cu2 Ag1 O4\n1.0\n3.736742 0.000000 0.000000\n0.756328 4.728191 0.000000\n0.154740 0.658738 5.220754\nCu Ag O\n2 1 4\ndirect\n0.000000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Ag\n0.302597 0.243908 0.727757 O\n0.832446 0.770563 0.718991 O\n0.697403 0.756092 0.272243 O\n0.167554 0.229437 0.281009 O\n",
            "nsites": 7,
            "nelements": 3,
            "elements": [
                "Cu",
                "Ag",
                "O"
            ],
            "chemical_system": "Ag-Cu-O",
            "density": 5.3819248729644436,
            "density_atomic": 0.07588862511416733,
            "volume": 92.24043773976871,
            "volume_molar": 7.935498569041478,
            "formula_full": "Cu2 Ag1 O4",
            "formula_reduced": "Cu2AgO4",
            "formula_anonymous": "AB2C4",
            "energy": -35.950283379999995,
            "energy_per_atom": -5.135754768571428,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -33.20228338,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0010086,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:00.486000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1519011",
            "created_at": "2022-09-04T14:43:06.642671Z",
            "structure_string": "Ba4 Na4 Pr4 W4 O24\n1.0\n8.568783 0.000000 0.000000\n0.000000 8.524711 0.000000\n0.000000 0.000000 8.537165\nBa Na Pr W O\n4 4 4 4 24\ndirect\n-0.000000 -0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n-0.000000 0.500000 0.500000 Ba\n0.500000 -0.000000 0.000000 Ba\n0.500000 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n-0.000000 0.500000 -0.000000 Na\n-0.000000 -0.000000 0.500000 Na\n0.750000 0.750000 0.750000 Pr\n0.250000 0.250000 0.750000 Pr\n0.250000 0.750000 0.250000 Pr\n0.750000 0.250000 0.250000 Pr\n0.250000 0.250000 0.250000 W\n0.750000 0.750000 0.250000 W\n0.750000 0.250000 0.750000 W\n0.250000 0.750000 0.750000 W\n0.024976 0.219746 0.287832 O\n0.975024 0.780254 0.287832 O\n0.975024 0.219746 0.712168 O\n0.024976 0.780254 0.712168 O\n0.271671 0.023477 0.214898 O\n0.271671 0.976523 0.785102 O\n0.728329 0.976523 0.214898 O\n0.728329 0.023477 0.785102 O\n0.207822 0.273187 0.025149 O\n0.792178 0.273187 0.974851 O\n0.207822 0.726813 0.974851 O\n0.792178 0.726813 0.025149 O\n0.475024 0.280254 0.212168 O\n0.524976 0.719746 0.212168 O\n0.524976 0.280254 0.787832 O\n0.475024 0.719746 0.787832 O\n0.228329 0.476523 0.285102 O\n0.228329 0.523477 0.714898 O\n0.771671 0.523477 0.285102 O\n0.771671 0.476523 0.714898 O\n0.292178 0.226813 0.474851 O\n0.707822 0.226813 0.525149 O\n0.292178 0.773187 0.525149 O\n0.707822 0.773187 0.474851 O\n",
            "nsites": 40,
            "nelements": 5,
            "elements": [
                "Ba",
                "Na",
                "Pr",
                "W",
                "O"
            ],
            "chemical_system": "Ba-Na-O-Pr-W",
            "density": 6.188967417152874,
            "density_atomic": 0.06414273983265817,
            "volume": 623.6091583296238,
            "volume_molar": 9.388655326715304,
            "formula_full": "Ba4 Na4 Pr4 W4 O24",
            "formula_reduced": "BaNaPrWO6",
            "formula_anonymous": "ABCDE6",
            "energy": -316.23210824,
            "energy_per_atom": -7.905802706,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -281.99210824,
            "band_gap": 2.918,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:07.042000Z",
            "spacegroup": 48
        },
        {
            "id": "mp-1025345",
            "created_at": "2022-09-04T14:43:14.076904Z",
            "structure_string": "Ti2 Cr1 Te4\n1.0\n1.918099 7.204861 0.000000\n-1.918099 7.204861 0.000000\n0.000000 3.140925 6.137994\nTi Cr Te\n2 1 4\ndirect\n0.746880 0.746880 0.298916 Ti\n0.253120 0.253120 0.701084 Ti\n0.000000 0.000000 0.000000 Cr\n0.893073 0.893073 0.446942 Te\n0.106927 0.106927 0.553058 Te\n0.635467 0.635467 0.030963 Te\n0.364533 0.364533 0.969037 Te\n",
            "nsites": 7,
            "nelements": 3,
            "elements": [
                "Ti",
                "Cr",
                "Te"
            ],
            "chemical_system": "Cr-Te-Ti",
            "density": 6.441807915704703,
            "density_atomic": 0.04126149498627018,
            "volume": 169.64969403869782,
            "volume_molar": 14.595061962742443,
            "formula_full": "Ti2 Cr1 Te4",
            "formula_reduced": "Ti2CrTe4",
            "formula_anonymous": "AB2C4",
            "energy": -43.541057030000005,
            "energy_per_atom": -6.220151004285715,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -41.85305703,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 2.4727238,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:01.728000Z",
            "spacegroup": 12
        },
        {
            "id": "mp-1147645",
            "created_at": "2022-09-04T14:43:06.646974Z",
            "structure_string": "Ba4 Cu3 Se1 O6\n1.0\n-3.969027 3.969027 3.969027\n3.969027 -3.969027 3.969027\n3.969027 3.969027 -3.969027\nBa Cu Se O\n4 3 1 6\ndirect\n0.000000 0.500000 0.000000 Ba\n0.500000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Se\n0.250000 0.750000 0.500000 O\n0.750000 0.250000 0.500000 O\n0.500000 0.250000 0.750000 O\n0.500000 0.750000 0.250000 O\n0.250000 0.500000 0.750000 O\n0.750000 0.500000 0.250000 O\n",
            "nsites": 14,
            "nelements": 4,
            "elements": [
                "Ba",
                "Cu",
                "Se",
                "O"
            ],
            "chemical_system": "Ba-Cu-O-Se",
            "density": 6.0745164592337115,
            "density_atomic": 0.05597780752429728,
            "volume": 250.0991128300849,
            "volume_molar": 10.75808615295638,
            "formula_full": "Ba4 Cu3 Se1 O6",
            "formula_reduced": "Ba4Cu3SeO6",
            "formula_anonymous": "AB3C4D6",
            "energy": -81.43175135999999,
            "energy_per_atom": -5.816553668571428,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -76.83775136,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0013389,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:56.917000Z",
            "spacegroup": 229
        },
        {
            "id": "mp-1215842",
            "created_at": "2022-09-04T14:43:06.649637Z",
            "structure_string": "Zn1 Fe8 Co3 O16\n1.0\n6.044342 0.000000 0.000000\n0.000000 6.044342 0.000000\n0.000000 0.000000 8.547679\nZn Fe Co O\n1 8 3 16\ndirect\n0.500000 0.500000 0.000000 Zn\n0.500000 0.749892 0.374918 Fe\n0.000000 0.250103 0.875083 Fe\n0.250103 0.000000 0.124917 Fe\n0.749892 0.500000 0.625082 Fe\n0.749897 0.000000 0.124917 Fe\n0.250108 0.500000 0.625082 Fe\n0.500000 0.250108 0.374918 Fe\n0.000000 0.749897 0.875083 Fe\n0.000000 0.000000 0.500000 Co\n0.500000 0.000000 0.750186 Co\n0.000000 0.500000 0.249814 Co\n0.500000 0.270450 0.614715 O\n0.000000 0.770598 0.114729 O\n0.270450 0.500000 0.385285 O\n0.770598 0.000000 0.885271 O\n0.729550 0.500000 0.385285 O\n0.229402 0.000000 0.885271 O\n0.500000 0.729550 0.614715 O\n0.000000 0.229402 0.114729 O\n0.500000 0.229457 0.135218 O\n0.000000 0.729153 0.635513 O\n0.729153 0.000000 0.364487 O\n0.229457 0.500000 0.864782 O\n0.270847 0.000000 0.364487 O\n0.770543 0.500000 0.864782 O\n0.500000 0.770543 0.135218 O\n0.000000 0.270847 0.635513 O\n",
            "nsites": 28,
            "nelements": 4,
            "elements": [
                "Zn",
                "Fe",
                "Co",
                "O"
            ],
            "chemical_system": "Co-Fe-O-Zn",
            "density": 5.024765434680918,
            "density_atomic": 0.0896626907922856,
            "volume": 312.281504743878,
            "volume_molar": 6.716439922543718,
            "formula_full": "Zn1 Fe8 Co3 O16",
            "formula_reduced": "ZnFe8Co3O16",
            "formula_anonymous": "AB3C8D16",
            "energy": -214.7976547,
            "energy_per_atom": -7.671344810714286,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -180.8436547,
            "band_gap": 1.5578000000000003,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 49.0013655,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:56.518000Z",
            "spacegroup": 115
        },
        {
            "id": "mp-1222014",
            "created_at": "2022-09-04T14:43:06.655770Z",
            "structure_string": "Mn3 Zn1 I8 O24\n1.0\n-5.309782 0.000000 0.000000\n0.016754 11.223589 0.000000\n-0.004916 -5.547276 -9.793915\nMn Zn I O\n3 1 8 24\ndirect\n0.651732 0.239296 0.493153 Mn\n0.149119 0.260020 0.003786 Mn\n0.647478 0.739955 0.996326 Mn\n0.159636 0.760261 0.507046 Zn\n0.235143 0.419961 0.348950 I\n0.739665 0.584343 0.651638 I\n0.225235 0.912544 0.845796 I\n0.726694 0.086541 0.151416 I\n0.747494 0.080301 0.681871 I\n0.241880 0.914314 0.317851 I\n0.247030 0.416975 0.814516 I\n0.748591 0.584409 0.187758 I\n0.424328 0.879795 0.960190 O\n0.924196 0.118760 0.036368 O\n0.383725 0.801915 0.681236 O\n0.886552 0.197456 0.314834 O\n0.386515 0.307248 0.183439 O\n0.887831 0.696452 0.818245 O\n0.918893 0.221042 0.823478 O\n0.418334 0.776759 0.176379 O\n0.941495 0.933592 0.656688 O\n0.435231 0.061510 0.343906 O\n0.373894 0.075949 0.884334 O\n0.873234 0.923578 0.114855 O\n0.424447 0.280167 0.672962 O\n0.928886 0.721029 0.329122 O\n0.365038 0.394291 0.955452 O\n0.865002 0.606779 0.046268 O\n0.434059 0.566031 0.840261 O\n0.933698 0.434224 0.159995 O\n0.377170 0.584162 0.383132 O\n0.881760 0.421261 0.618459 O\n0.449764 0.387618 0.458416 O\n0.954088 0.616068 0.541146 O\n0.863292 0.103980 0.541266 O\n0.358471 0.891415 0.459459 O\n",
            "nsites": 36,
            "nelements": 4,
            "elements": [
                "Mn",
                "Zn",
                "I",
                "O"
            ],
            "chemical_system": "I-Mn-O-Zn",
            "density": 4.6357914763297785,
            "density_atomic": 0.061679056905101656,
            "volume": 583.6665118824528,
            "volume_molar": 9.763671920706509,
            "formula_full": "Mn3 Zn1 I8 O24",
            "formula_reduced": "Mn3Zn(IO3)8",
            "formula_anonymous": "AB3C8D24",
            "energy": -200.58421779,
            "energy_per_atom": -5.5717838275,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -179.09221779,
            "band_gap": 2.5927,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 15.0026738,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:07.996000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1235307",
            "created_at": "2022-09-04T14:43:15.737112Z",
            "structure_string": "Li1 V6 O11 F1\n1.0\n4.681365 -0.079465 0.007665\n-0.079350 4.686350 -0.020371\n0.014196 -0.039133 9.054126\nLi V O F\n1 6 11 1\ndirect\n0.505426 0.012726 0.750702 Li\n0.017045 0.986804 0.010208 V\n0.000016 0.001136 0.329963 V\n0.022074 0.971898 0.642963 V\n0.519730 0.480677 0.170028 V\n0.473945 0.521880 0.840403 V\n0.527368 0.476445 0.498378 V\n0.194625 0.803122 0.165350 O\n0.202560 0.790725 0.505192 O\n0.183183 0.819800 0.829800 O\n0.286078 0.297919 0.003333 O\n0.307640 0.309799 0.335457 O\n0.304082 0.300390 0.666712 O\n0.695909 0.713086 0.998710 O\n0.689620 0.696157 0.335476 O\n0.689149 0.712144 0.665122 O\n0.791993 0.207866 0.165039 O\n0.803210 0.203706 0.505839 O\n0.800236 0.207607 0.831320 F\n",
            "nsites": 19,
            "nelements": 4,
            "elements": [
                "Li",
                "V",
                "O",
                "F"
            ],
            "chemical_system": "F-Li-O-V",
            "density": 4.244586616749463,
            "density_atomic": 0.09568279645043588,
            "volume": 198.57279160775872,
            "volume_molar": 6.293859485095105,
            "formula_full": "Li1 V6 O11 F1",
            "formula_reduced": "LiV6O11F",
            "formula_anonymous": "ABC6D11",
            "energy": -159.6508117,
            "energy_per_atom": -8.4026743,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -141.4318117,
            "band_gap": 0.6340999999999997,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 7.9974788,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:02.675000Z",
            "spacegroup": 1
        }
    ]
}