GET /third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=1725
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=chemical_system&page=1726",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=1724",
    "results": [
        {
            "id": "mp-19956",
            "created_at": "2022-09-04T14:42:27.201413Z",
            "structure_string": "Ba4 In2 O6 F2\n1.0\n4.229099 0.000000 0.000000\n0.000000 4.229099 0.000000\n0.000000 0.000000 14.176522\nBa In O F\n4 2 6 2\ndirect\n0.000000 0.500000 0.897998 Ba\n0.500000 0.000000 0.102002 Ba\n0.000000 0.500000 0.620530 Ba\n0.500000 0.000000 0.379470 Ba\n0.500000 0.000000 0.768019 In\n0.000000 0.500000 0.231981 In\n0.500000 0.500000 0.258374 O\n0.000000 0.000000 0.258374 O\n0.500000 0.000000 0.918579 O\n0.000000 0.500000 0.081421 O\n0.000000 0.000000 0.741626 O\n0.500000 0.500000 0.741626 O\n0.000000 0.500000 0.427834 F\n0.500000 0.000000 0.572166 F\n",
            "nsites": 14,
            "nelements": 4,
            "elements": [
                "Ba",
                "In",
                "O",
                "F"
            ],
            "chemical_system": "Ba-F-In-O",
            "density": 5.978945637296668,
            "density_atomic": 0.055215706817405834,
            "volume": 253.5510420304306,
            "volume_molar": 10.90657189251378,
            "formula_full": "Ba4 In2 O6 F2",
            "formula_reduced": "Ba2InO3F",
            "formula_anonymous": "ABC2D3",
            "energy": -86.83515008,
            "energy_per_atom": -6.20251072,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -81.78915008,
            "band_gap": 2.0466999999999995,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 9.85e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:48.187000Z",
            "spacegroup": 129
        },
        {
            "id": "mp-1204693",
            "created_at": "2022-09-04T14:39:17.657759Z",
            "structure_string": "Ba72 In32 S84 F72\n1.0\n-0.000000 -0.000000 12.888867\n22.461049 0.000000 -0.000000\n0.000000 22.461049 -0.000000\nBa In S F\n72 32 84 72\ndirect\n0.867703 0.055706 0.656172 Ba\n0.367703 0.055706 0.843828 Ba\n0.367703 0.444294 0.656172 Ba\n0.867703 0.444294 0.843828 Ba\n0.867703 0.656172 0.055706 Ba\n0.367703 0.843828 0.055706 Ba\n0.367703 0.656172 0.444294 Ba\n0.867703 0.843828 0.444294 Ba\n0.132297 0.944294 0.343828 Ba\n0.632297 0.944294 0.156172 Ba\n0.632297 0.555706 0.343828 Ba\n0.132297 0.555706 0.156172 Ba\n0.132297 0.343828 0.944294 Ba\n0.632297 0.156172 0.944294 Ba\n0.632297 0.343828 0.555706 Ba\n0.132297 0.156172 0.555706 Ba\n0.876044 0.053897 0.852654 Ba\n0.376044 0.053897 0.647346 Ba\n0.376044 0.446103 0.852654 Ba\n0.876044 0.446103 0.647346 Ba\n0.876044 0.852654 0.053897 Ba\n0.376044 0.647346 0.053897 Ba\n0.376044 0.852654 0.446103 Ba\n0.876044 0.647346 0.446103 Ba\n0.123956 0.946103 0.147346 Ba\n0.623956 0.946103 0.352654 Ba\n0.623956 0.553897 0.147346 Ba\n0.123956 0.553897 0.352654 Ba\n0.123956 0.147346 0.946103 Ba\n0.623956 0.352654 0.946103 Ba\n0.623956 0.147346 0.553897 Ba\n0.123956 0.352654 0.553897 Ba\n0.624072 0.750189 0.150519 Ba\n0.124072 0.750189 0.349481 Ba\n0.124072 0.749811 0.150519 Ba\n0.624072 0.749811 0.349481 Ba\n0.624072 0.150519 0.750189 Ba\n0.124072 0.349481 0.750189 Ba\n0.124072 0.150519 0.749811 Ba\n0.624072 0.349481 0.749811 Ba\n0.375928 0.249811 0.849481 Ba\n0.875928 0.249811 0.650519 Ba\n0.875928 0.250189 0.849481 Ba\n0.375928 0.250189 0.650519 Ba\n0.375928 0.849481 0.249811 Ba\n0.875928 0.650519 0.249811 Ba\n0.875928 0.849481 0.250189 Ba\n0.375928 0.650519 0.250189 Ba\n0.620233 0.540436 0.750345 Ba\n0.120233 0.540436 0.749655 Ba\n0.120233 0.959564 0.750345 Ba\n0.620233 0.959564 0.749655 Ba\n0.620233 0.750345 0.540436 Ba\n0.120233 0.749655 0.540436 Ba\n0.120233 0.750345 0.959564 Ba\n0.620233 0.749655 0.959564 Ba\n0.379767 0.459564 0.249655 Ba\n0.879767 0.459564 0.250345 Ba\n0.879767 0.040436 0.249655 Ba\n0.379767 0.040436 0.250345 Ba\n0.379767 0.249655 0.459564 Ba\n0.879767 0.250345 0.459564 Ba\n0.879767 0.249655 0.040436 Ba\n0.379767 0.250345 0.040436 Ba\n0.500000 0.500000 0.500000 Ba\n0.000000 0.500000 0.000000 Ba\n0.000000 -0.000000 0.500000 Ba\n0.500000 -0.000000 0.000000 Ba\n0.701341 0.750000 0.750000 Ba\n0.201341 0.750000 0.750000 Ba\n0.298660 0.250000 0.250000 Ba\n0.798659 0.250000 0.250000 Ba\n0.926591 0.662354 0.662354 In\n0.426591 0.662354 0.837646 In\n0.426591 0.837646 0.662354 In\n0.926591 0.837646 0.837646 In\n0.073409 0.337646 0.337646 In\n0.573409 0.337646 0.162354 In\n0.573409 0.162354 0.337646 In\n0.073409 0.162354 0.162354 In\n0.165784 0.575005 0.575005 In\n0.665784 0.575005 0.924995 In\n0.665784 0.924995 0.575005 In\n0.165784 0.924995 0.924995 In\n0.834216 0.424995 0.424995 In\n0.334216 0.424995 0.075005 In\n0.334216 0.075005 0.424995 In\n0.834216 0.075005 0.075005 In\n0.688455 0.581507 0.581507 In\n0.188455 0.581507 0.918493 In\n0.188455 0.918493 0.581507 In\n0.688455 0.918493 0.918493 In\n0.311545 0.418493 0.418493 In\n0.811545 0.418493 0.081507 In\n0.811545 0.081507 0.418493 In\n0.311545 0.081507 0.081507 In\n0.920441 0.659393 0.840607 In\n0.420441 0.659393 0.659393 In\n0.420441 0.840607 0.840607 In\n0.920441 0.840607 0.659393 In\n0.079559 0.340607 0.159393 In\n0.579559 0.340607 0.340607 In\n0.579559 0.159393 0.159393 In\n0.079559 0.159393 0.340607 In\n0.878873 0.583057 0.583057 S\n0.378873 0.583057 0.916943 S\n0.378873 0.916943 0.583057 S\n0.878873 0.916943 0.916943 S\n0.121127 0.416943 0.416943 S\n0.621127 0.416943 0.083057 S\n0.621127 0.083057 0.416943 S\n0.121127 0.083057 0.083057 S\n0.364072 0.580905 0.580905 S\n0.864072 0.580905 0.919095 S\n0.864072 0.919095 0.580905 S\n0.364072 0.919095 0.919095 S\n0.635928 0.419095 0.419095 S\n0.135928 0.419095 0.080905 S\n0.135928 0.080905 0.419095 S\n0.635928 0.080905 0.080905 S\n0.120823 0.654204 0.654204 S\n0.620823 0.654204 0.845796 S\n0.620823 0.845796 0.654204 S\n0.120823 0.845796 0.845796 S\n0.879177 0.345796 0.345796 S\n0.379177 0.345796 0.154204 S\n0.379177 0.154204 0.345796 S\n0.879177 0.154204 0.154204 S\n0.617030 0.655452 0.655452 S\n0.117030 0.655452 0.844548 S\n0.117030 0.844548 0.655452 S\n0.617030 0.844548 0.844548 S\n0.382970 0.344548 0.344548 S\n0.882970 0.344548 0.155452 S\n0.882970 0.155452 0.344548 S\n0.382970 0.155452 0.155452 S\n0.864105 0.599160 0.750685 S\n0.364105 0.599160 0.749315 S\n0.364105 0.900840 0.750685 S\n0.864105 0.900840 0.749315 S\n0.864105 0.750685 0.599160 S\n0.364105 0.749315 0.599160 S\n0.364105 0.750685 0.900840 S\n0.864105 0.749315 0.900840 S\n0.135895 0.400840 0.249315 S\n0.635895 0.400840 0.250685 S\n0.635895 0.099160 0.249315 S\n0.135895 0.099160 0.250685 S\n0.135895 0.249315 0.400840 S\n0.635895 0.250685 0.400840 S\n0.635895 0.249315 0.099160 S\n0.135895 0.250685 0.099160 S\n0.950686 0.750000 0.750000 S\n0.450686 0.750000 0.750000 S\n0.049314 0.250000 0.250000 S\n0.549314 0.250000 0.250000 S\n0.626638 0.615951 0.482434 S\n0.126638 0.615951 0.017566 S\n0.126638 0.884049 0.482434 S\n0.626638 0.884049 0.017566 S\n0.626638 0.482434 0.615951 S\n0.126638 0.017566 0.615951 S\n0.126638 0.482434 0.884049 S\n0.626638 0.017566 0.884049 S\n0.373362 0.384049 0.517566 S\n0.873362 0.384049 0.982434 S\n0.873362 0.115951 0.517566 S\n0.373362 0.115951 0.982434 S\n0.373362 0.517566 0.384049 S\n0.873362 0.982434 0.384049 S\n0.873362 0.517566 0.115951 S\n0.373362 0.982434 0.115951 S\n0.124815 0.620331 0.479982 S\n0.624815 0.620331 0.020018 S\n0.624815 0.879669 0.479982 S\n0.124815 0.879669 0.020018 S\n0.124815 0.479982 0.620331 S\n0.624815 0.020018 0.620331 S\n0.624815 0.479982 0.879669 S\n0.124815 0.020018 0.879669 S\n0.875185 0.379669 0.520018 S\n0.375185 0.379669 0.979982 S\n0.375185 0.120331 0.520018 S\n0.875185 0.120331 0.979982 S\n0.875185 0.520018 0.379669 S\n0.375185 0.979982 0.379669 S\n0.375185 0.520018 0.120331 S\n0.875185 0.979982 0.120331 S\n0.750000 0.250000 0.750000 F\n0.250000 0.250000 0.750000 F\n0.750000 0.750000 0.250000 F\n0.250000 0.750000 0.250000 F\n0.500000 0.652216 0.152216 F\n0.000000 0.652216 0.347784 F\n0.000000 0.847784 0.152216 F\n0.500000 0.847784 0.347784 F\n0.500000 0.152216 0.652216 F\n0.000000 0.347784 0.652216 F\n0.000000 0.152216 0.847784 F\n0.500000 0.347784 0.847784 F\n0.753622 0.051468 0.753558 F\n0.253622 0.051468 0.746442 F\n0.253622 0.448532 0.753558 F\n0.753622 0.448532 0.746442 F\n0.753622 0.753558 0.051468 F\n0.253622 0.746442 0.051468 F\n0.253622 0.753558 0.448532 F\n0.753622 0.746442 0.448532 F\n0.246378 0.948532 0.246442 F\n0.746378 0.948532 0.253558 F\n0.746378 0.551468 0.246442 F\n0.246378 0.551468 0.253558 F\n0.246378 0.246442 0.948532 F\n0.746378 0.253558 0.948532 F\n0.746378 0.246442 0.551468 F\n0.246378 0.253558 0.551468 F\n0.991165 0.052134 0.750525 F\n0.491165 0.052134 0.749475 F\n0.491165 0.447866 0.750525 F\n0.991165 0.447866 0.749475 F\n0.991165 0.750525 0.052134 F\n0.491165 0.749475 0.052134 F\n0.491165 0.750525 0.447866 F\n0.991165 0.749475 0.447866 F\n0.008835 0.947866 0.249475 F\n0.508835 0.947866 0.250525 F\n0.508835 0.552134 0.249475 F\n0.008835 0.552134 0.250525 F\n0.008835 0.249475 0.947866 F\n0.508835 0.250525 0.947866 F\n0.508835 0.249475 0.552134 F\n0.008835 0.250525 0.552134 F\n0.000000 0.151572 0.651572 F\n0.500000 0.151572 0.848428 F\n0.500000 0.348428 0.651572 F\n0.000000 0.348428 0.848428 F\n0.000000 0.651572 0.151572 F\n0.500000 0.848428 0.151572 F\n0.500000 0.651572 0.348428 F\n0.000000 0.848428 0.348428 F\n0.749993 0.653831 0.152586 F\n0.249993 0.653831 0.347414 F\n0.249993 0.846169 0.152586 F\n0.749993 0.846169 0.347414 F\n0.749993 0.152586 0.653831 F\n0.249993 0.347414 0.653831 F\n0.249993 0.152586 0.846169 F\n0.749993 0.347414 0.846169 F\n0.250007 0.346169 0.847414 F\n0.750007 0.346169 0.652586 F\n0.750007 0.153831 0.847414 F\n0.250007 0.153831 0.652586 F\n0.250007 0.847414 0.346169 F\n0.750007 0.652586 0.346169 F\n0.750007 0.847414 0.153831 F\n0.250007 0.652586 0.153831 F\n0.000000 0.250000 0.750000 F\n0.500000 0.250000 0.750000 F\n0.000000 0.750000 0.250000 F\n0.500000 0.750000 0.250000 F\n",
            "nsites": 260,
            "nelements": 4,
            "elements": [
                "Ba",
                "In",
                "S",
                "F"
            ],
            "chemical_system": "Ba-F-In-S",
            "density": 4.500447797011929,
            "density_atomic": 0.03998513210162641,
            "volume": 6502.416931853138,
            "volume_molar": 15.06095001685651,
            "formula_full": "Ba72 In32 S84 F72",
            "formula_reduced": "Ba18In8(S7F6)3",
            "formula_anonymous": "A8B18C18D21",
            "energy": -1405.9236205,
            "energy_per_atom": -5.407398540384615,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1330.4076205,
            "band_gap": 2.3067,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.001813,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:42.554000Z",
            "spacegroup": 138
        },
        {
            "id": "mp-1204134",
            "created_at": "2022-09-04T14:41:54.772436Z",
            "structure_string": "Ba36 In16 S40 F40\n1.0\n-12.677248 0.000000 0.000000\n0.000000 0.000000 -12.684179\n0.000000 -19.566124 0.000000\nBa In S F\n36 16 40 40\ndirect\n0.130782 0.756573 0.424239 Ba\n0.630782 0.743427 0.075761 Ba\n0.869218 0.243427 0.924239 Ba\n0.369218 0.256573 0.575761 Ba\n0.869218 0.243427 0.575761 Ba\n0.369218 0.256573 0.924239 Ba\n0.130782 0.756573 0.075761 Ba\n0.630782 0.743427 0.424239 Ba\n0.378417 0.502958 0.422934 Ba\n0.878417 0.997042 0.077066 Ba\n0.621583 0.497042 0.922934 Ba\n0.121583 0.002958 0.577066 Ba\n0.621583 0.497042 0.577066 Ba\n0.121583 0.002958 0.922934 Ba\n0.378417 0.502958 0.077066 Ba\n0.878417 0.997042 0.422934 Ba\n0.381055 0.749814 0.575722 Ba\n0.881055 0.750186 0.924278 Ba\n0.618945 0.250186 0.075722 Ba\n0.118945 0.249814 0.424278 Ba\n0.618945 0.250186 0.424278 Ba\n0.118945 0.249814 0.075722 Ba\n0.381055 0.749814 0.924278 Ba\n0.881055 0.750186 0.575722 Ba\n0.871458 0.493751 0.424151 Ba\n0.371458 0.006249 0.075849 Ba\n0.128542 0.506249 0.924151 Ba\n0.628542 0.993751 0.575849 Ba\n0.128542 0.506249 0.575849 Ba\n0.628542 0.993751 0.924151 Ba\n0.871458 0.493751 0.075849 Ba\n0.371458 0.006249 0.424151 Ba\n0.623949 0.497295 0.250000 Ba\n0.123949 0.002705 0.250000 Ba\n0.376051 0.502705 0.750000 Ba\n0.876051 0.997295 0.750000 Ba\n0.325234 0.698008 0.250000 In\n0.825234 0.801992 0.250000 In\n0.674766 0.301992 0.750000 In\n0.174766 0.198008 0.750000 In\n0.419158 0.205737 0.250000 In\n0.919158 0.294263 0.250000 In\n0.580842 0.794263 0.750000 In\n0.080842 0.705737 0.750000 In\n0.204184 0.418052 0.250000 In\n0.704184 0.081948 0.250000 In\n0.795816 0.581948 0.750000 In\n0.295816 0.918052 0.750000 In\n0.020308 0.603908 0.250000 In\n0.520308 0.896092 0.250000 In\n0.979692 0.396091 0.750000 In\n0.479692 0.103909 0.750000 In\n0.138197 0.759862 0.250000 S\n0.638197 0.740138 0.250000 S\n0.861803 0.240138 0.750000 S\n0.361803 0.259862 0.750000 S\n0.393954 0.766811 0.357591 S\n0.893954 0.733189 0.142409 S\n0.606046 0.233189 0.857591 S\n0.106046 0.266811 0.642409 S\n0.606046 0.233189 0.642409 S\n0.106046 0.266811 0.857591 S\n0.393954 0.766811 0.142409 S\n0.893954 0.733189 0.357591 S\n0.119696 0.506952 0.352444 S\n0.619696 0.993048 0.147556 S\n0.880304 0.493048 0.852444 S\n0.380304 0.006952 0.647556 S\n0.880304 0.493048 0.647556 S\n0.380304 0.006952 0.852444 S\n0.119696 0.506952 0.147556 S\n0.619696 0.993048 0.352444 S\n0.362752 0.261312 0.363162 S\n0.862752 0.238688 0.136838 S\n0.637248 0.738688 0.863162 S\n0.137248 0.761312 0.636838 S\n0.637248 0.738688 0.636838 S\n0.137248 0.761312 0.863162 S\n0.362752 0.261312 0.136838 S\n0.862752 0.238688 0.363162 S\n0.365129 0.013841 0.250000 S\n0.865129 0.486159 0.250000 S\n0.634871 0.986159 0.750000 S\n0.134871 0.513841 0.750000 S\n0.377961 0.506714 0.250000 S\n0.877961 0.993286 0.250000 S\n0.622039 0.493287 0.750000 S\n0.122039 0.006713 0.750000 S\n0.114270 0.246342 0.250000 S\n0.614270 0.253658 0.250000 S\n0.885730 0.753658 0.750000 S\n0.385730 0.746342 0.750000 S\n0.623548 0.499717 0.380685 F\n0.123548 0.000283 0.119315 F\n0.376452 0.500283 0.880685 F\n0.876452 0.999717 0.619315 F\n0.376452 0.500283 0.619315 F\n0.876452 0.999717 0.880685 F\n0.623548 0.499717 0.119315 F\n0.123548 0.000283 0.380685 F\n0.997147 0.375731 0.501615 F\n0.497147 0.124269 0.998385 F\n0.002853 0.624269 0.001615 F\n0.502853 0.875731 0.498385 F\n0.002853 0.624269 0.498385 F\n0.502853 0.875731 0.001615 F\n0.997147 0.375731 0.998385 F\n0.497147 0.124269 0.501615 F\n0.003010 0.876520 0.499530 F\n0.503010 0.623480 0.000470 F\n0.996990 0.123480 0.999530 F\n0.496990 0.376520 0.500470 F\n0.996990 0.123480 0.500470 F\n0.496990 0.376520 0.999530 F\n0.003010 0.876520 0.000470 F\n0.503010 0.623480 0.499530 F\n0.753472 0.619477 0.502001 F\n0.253472 0.880523 0.997999 F\n0.246528 0.380523 0.002001 F\n0.746528 0.119477 0.497999 F\n0.246528 0.380523 0.497999 F\n0.746528 0.119477 0.002001 F\n0.753472 0.619477 0.997999 F\n0.253472 0.880523 0.502001 F\n0.254554 0.628683 0.497482 F\n0.754554 0.871317 0.002518 F\n0.745446 0.371317 0.997482 F\n0.245446 0.128683 0.502518 F\n0.745446 0.371317 0.502518 F\n0.245446 0.128683 0.997482 F\n0.254554 0.628683 0.002518 F\n0.754554 0.871317 0.497482 F\n",
            "nsites": 132,
            "nelements": 4,
            "elements": [
                "Ba",
                "In",
                "S",
                "F"
            ],
            "chemical_system": "Ba-F-In-S",
            "density": 4.6568550989805315,
            "density_atomic": 0.041954812172490856,
            "volume": 3146.2421868867386,
            "volume_molar": 14.353873723092551,
            "formula_full": "Ba36 In16 S40 F40",
            "formula_reduced": "Ba9In4(SF)10",
            "formula_anonymous": "A4B9C10D10",
            "energy": -715.20967357,
            "energy_per_atom": -5.41825510280303,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -676.60967357,
            "band_gap": 2.2437,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 9.6e-06,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:39.892000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-1192196",
            "created_at": "2022-09-04T14:46:14.299341Z",
            "structure_string": "Ba7 In2 Se6 F8\n1.0\n2.229469 12.244031 0.000000\n-2.229469 12.244031 0.000000\n0.000000 3.302363 10.658664\nBa In Se F\n7 2 6 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.827897 0.827897 0.240029 Ba\n0.172103 0.172103 0.759971 Ba\n0.365028 0.365028 0.898570 Ba\n0.634972 0.634972 0.101430 Ba\n0.542658 0.542658 0.644325 Ba\n0.457342 0.457342 0.355675 Ba\n0.827744 0.827744 0.623426 In\n0.172256 0.172256 0.376574 In\n0.310303 0.310303 0.502079 Se\n0.689697 0.689697 0.497921 Se\n0.932001 0.932001 0.631349 Se\n0.067999 0.067999 0.368651 Se\n0.761489 0.761489 0.849022 Se\n0.238511 0.238511 0.150978 Se\n0.383810 0.383810 0.166468 F\n0.616190 0.616190 0.833532 F\n0.064578 0.064578 0.736620 F\n0.935422 0.935422 0.263380 F\n0.885795 0.885795 0.996540 F\n0.114205 0.114205 0.003460 F\n0.476363 0.476363 0.878181 F\n0.523637 0.523637 0.121819 F\n",
            "nsites": 23,
            "nelements": 4,
            "elements": [
                "Ba",
                "In",
                "Se",
                "F"
            ],
            "chemical_system": "Ba-F-In-Se",
            "density": 5.184024530198335,
            "density_atomic": 0.03952475712928213,
            "volume": 581.9137591350391,
            "volume_molar": 15.23637638126931,
            "formula_full": "Ba7 In2 Se6 F8",
            "formula_reduced": "Ba7In2(Se3F4)2",
            "formula_anonymous": "A2B6C7D8",
            "energy": -122.86116597,
            "energy_per_atom": -5.341789824782609,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -116.33316596999998,
            "band_gap": 1.1988,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0009523,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:30.030000Z",
            "spacegroup": 12
        },
        {
            "id": "mp-554245",
            "created_at": "2022-09-04T14:42:42.717537Z",
            "structure_string": "Ba2 Pb4 I2 F10\n1.0\n6.130211 0.000000 0.000000\n0.000000 6.130211 0.000000\n0.000000 0.000000 10.120162\nBa Pb I F\n2 4 2 10\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Ba\n0.500000 0.000000 0.693553 Pb\n0.000000 0.500000 0.735634 Pb\n0.500000 0.000000 0.264366 Pb\n0.000000 0.500000 0.306447 Pb\n0.500000 0.500000 0.500000 I\n0.000000 0.000000 0.500000 I\n0.500000 0.000000 0.035374 F\n0.763979 0.263979 0.180162 F\n0.263979 0.236021 0.819838 F\n0.763979 0.736021 0.180162 F\n0.736021 0.763979 0.819838 F\n0.236021 0.263979 0.180162 F\n0.000000 0.500000 0.964626 F\n0.736021 0.236021 0.819838 F\n0.263979 0.763979 0.819838 F\n0.236021 0.736021 0.180162 F\n",
            "nsites": 18,
            "nelements": 4,
            "elements": [
                "Ba",
                "Pb",
                "I",
                "F"
            ],
            "chemical_system": "Ba-F-I-Pb",
            "density": 6.755701128668031,
            "density_atomic": 0.04732974824532444,
            "volume": 380.3104953506311,
            "volume_molar": 12.723796308371254,
            "formula_full": "Ba2 Pb4 I2 F10",
            "formula_reduced": "BaPb2IF5",
            "formula_anonymous": "ABC2D5",
            "energy": -92.69262272,
            "energy_per_atom": -5.149590151111111,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -87.31462272,
            "band_gap": 2.8346000000000005,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0003848,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:56.811000Z",
            "spacegroup": 129
        },
        {
            "id": "mp-1206411",
            "created_at": "2022-09-04T14:42:03.828515Z",
            "structure_string": "Ba3 Ir1 F6\n1.0\n0.117134 1.065701 -6.463673\n-4.129597 -7.371676 0.473949\n-2.261698 6.232177 -0.706337\nBa Ir F\n3 1 6\ndirect\n0.500000 0.000000 0.000000 Ba\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ir\n0.773783 0.139075 0.354249 F\n0.226217 0.860925 0.645751 F\n0.733076 0.728183 0.521205 F\n0.266924 0.271817 0.478795 F\n0.183824 0.742085 0.992645 F\n0.816176 0.257915 0.007355 F\n",
            "nsites": 10,
            "nelements": 3,
            "elements": [
                "Ba",
                "Ir",
                "F"
            ],
            "chemical_system": "Ba-F-Ir",
            "density": 4.414833837192689,
            "density_atomic": 0.03701918618847747,
            "volume": 270.13019543667286,
            "volume_molar": 16.267620604459538,
            "formula_full": "Ba3 Ir1 F6",
            "formula_reduced": "Ba3IrF6",
            "formula_anonymous": "AB3C6",
            "energy": -55.83400509,
            "energy_per_atom": -5.583400509,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -53.06200509,
            "band_gap": 0.7308,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.9993592,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:30.408000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-13545",
            "created_at": "2022-09-04T14:43:01.559585Z",
            "structure_string": "Ba1 Ir1 F6\n1.0\n3.298330 -3.806835 0.000000\n3.298330 3.806835 0.000000\n-1.095408 0.000000 4.916407\nBa Ir F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ir\n0.260374 0.302100 0.929659 F\n0.739626 0.697900 0.070341 F\n0.070341 0.739626 0.697900 F\n0.697900 0.070341 0.739626 F\n0.929659 0.260374 0.302100 F\n0.302100 0.929659 0.260374 F\n",
            "nsites": 8,
            "nelements": 3,
            "elements": [
                "Ba",
                "Ir",
                "F"
            ],
            "chemical_system": "Ba-F-Ir",
            "density": 5.965411987714155,
            "density_atomic": 0.0647968665135259,
            "volume": 123.46276032236923,
            "volume_molar": 9.293876515993132,
            "formula_full": "Ba1 Ir1 F6",
            "formula_reduced": "BaIrF6",
            "formula_anonymous": "ABC6",
            "energy": -44.41123708,
            "energy_per_atom": -5.551404635,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -41.63923708,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.0000887,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:00.831000Z",
            "spacegroup": 148
        },
        {
            "id": "mp-1223441",
            "created_at": "2022-09-04T14:42:45.610932Z",
            "structure_string": "K1 Ba1 Li1 Zn1 F6\n1.0\n0.000000 4.106086 4.106086\n4.106086 0.000000 4.106086\n4.106086 4.106086 0.000000\nK Ba Li Zn F\n1 1 1 1 6\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Ba\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Zn\n0.999715 0.500285 0.500285 F\n0.999715 0.999715 0.500285 F\n0.500285 0.999715 0.500285 F\n0.500285 0.500285 0.999715 F\n0.999715 0.500285 0.999715 F\n0.500285 0.999715 0.999715 F\n",
            "nsites": 10,
            "nelements": 5,
            "elements": [
                "K",
                "Ba",
                "Li",
                "Zn",
                "F"
            ],
            "chemical_system": "Ba-F-K-Li-Zn",
            "density": 4.350720842321493,
            "density_atomic": 0.07222472229944979,
            "volume": 138.45674557998515,
            "volume_molar": 8.338060110541786,
            "formula_full": "K1 Ba1 Li1 Zn1 F6",
            "formula_reduced": "KBaLiZnF6",
            "formula_anonymous": "ABCDE6",
            "energy": -50.50690713,
            "energy_per_atom": -5.050690713,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -47.73490713,
            "band_gap": 5.5617,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0001141,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:59.273000Z",
            "spacegroup": 216
        },
        {
            "id": "mp-703273",
            "created_at": "2022-09-04T14:39:48.124110Z",
            "structure_string": "K5 Ba5 Li5 Zn5 F30\n1.0\n23.854151 -2.900869 0.000000\n23.854151 2.900869 0.000000\n23.501380 0.000000 5.012054\nK Ba Li Zn F\n5 5 5 5 30\ndirect\n0.298324 0.298324 0.298324 K\n0.599491 0.599491 0.599491 K\n0.199390 0.199390 0.199390 K\n0.100224 0.100224 0.100224 K\n0.700171 0.700171 0.700171 K\n0.001154 0.001154 0.001154 Ba\n0.899893 0.899893 0.899893 Ba\n0.501649 0.501649 0.501649 Ba\n0.801150 0.801150 0.801150 Ba\n0.400096 0.400096 0.400096 Ba\n0.250606 0.250606 0.250606 Li\n0.849667 0.849667 0.849667 Li\n0.151438 0.151438 0.151438 Li\n0.750253 0.750253 0.750253 Li\n0.349963 0.349963 0.349963 Li\n0.650327 0.650327 0.650327 Zn\n0.949018 0.949018 0.949018 Zn\n0.449487 0.449487 0.449487 Zn\n0.550269 0.550269 0.550269 Zn\n0.050077 0.050077 0.050077 Zn\n0.999778 0.500209 0.500209 F\n0.806209 0.290688 0.806209 F\n0.500209 0.500209 0.999778 F\n0.806209 0.806209 0.290688 F\n0.290688 0.806209 0.806209 F\n0.500209 0.999778 0.500209 F\n0.606339 0.096181 0.096181 F\n0.399942 0.900234 0.399942 F\n0.096181 0.096181 0.606339 F\n0.399942 0.399942 0.900234 F\n0.900234 0.399942 0.399942 F\n0.096181 0.606339 0.096181 F\n0.200990 0.699568 0.699568 F\n0.995197 0.506275 0.995197 F\n0.699568 0.699568 0.200990 F\n0.995197 0.995197 0.506275 F\n0.699568 0.200990 0.699568 F\n0.506275 0.995197 0.995197 F\n0.599124 0.101083 0.599124 F\n0.793341 0.303911 0.303911 F\n0.303911 0.303911 0.793341 F\n0.599124 0.599124 0.101083 F\n0.101083 0.599124 0.599124 F\n0.303911 0.793341 0.303911 F\n0.400905 0.899566 0.899566 F\n0.200036 0.700078 0.200036 F\n0.200036 0.200036 0.700078 F\n0.899566 0.899566 0.400905 F\n0.700078 0.200036 0.200036 F\n0.899566 0.400905 0.899566 F\n",
            "nsites": 50,
            "nelements": 5,
            "elements": [
                "K",
                "Ba",
                "Li",
                "Zn",
                "F"
            ],
            "chemical_system": "Ba-F-K-Li-Zn",
            "density": 4.342177011880633,
            "density_atomic": 0.07208288930134932,
            "volume": 693.6458913428163,
            "volume_molar": 8.35446639052421,
            "formula_full": "K5 Ba5 Li5 Zn5 F30",
            "formula_reduced": "KBaLiZnF6",
            "formula_anonymous": "ABCDE6",
            "energy": -252.39383005,
            "energy_per_atom": -5.047876601,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -238.53383005,
            "band_gap": 4.4943,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 5.46e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:27.656000Z",
            "spacegroup": 160
        },
        {
            "id": "mp-1223553",
            "created_at": "2022-09-04T14:48:24.007298Z",
            "structure_string": "K1 Ba2 Ni2 F9\n1.0\n7.214777 -2.919855 0.000000\n7.214777 2.919855 0.000000\n6.033098 0.000000 4.917346\nK Ba Ni F\n1 2 2 9\ndirect\n0.211486 0.211486 0.211486 K\n0.998640 0.998640 0.998640 Ba\n0.793129 0.793129 0.793129 Ba\n0.390992 0.390992 0.390992 Ni\n0.605800 0.605800 0.605800 Ni\n0.268862 0.776040 0.268862 F\n0.776040 0.268862 0.268862 F\n0.268862 0.268862 0.776040 F\n0.731542 0.219249 0.731542 F\n0.219249 0.731542 0.731542 F\n0.731542 0.731542 0.219249 F\n0.994802 0.504528 0.504528 F\n0.504528 0.504528 0.994802 F\n0.504528 0.994802 0.504528 F\n",
            "nsites": 14,
            "nelements": 4,
            "elements": [
                "K",
                "Ba",
                "Ni",
                "F"
            ],
            "chemical_system": "Ba-F-K-Ni",
            "density": 4.8260364840008885,
            "density_atomic": 0.06757453646276715,
            "volume": 207.17863166865897,
            "volume_molar": 8.911849159806128,
            "formula_full": "K1 Ba2 Ni2 F9",
            "formula_reduced": "KBa2Ni2F9",
            "formula_anonymous": "AB2C2D9",
            "energy": -78.58378651,
            "energy_per_atom": -5.613127607857143,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -69.34378651,
            "band_gap": 0.0479999999999996,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 3.9995387,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:39:27.217000Z",
            "spacegroup": 160
        },
        {
            "id": "mp-39699",
            "created_at": "2022-09-04T14:47:14.197431Z",
            "structure_string": "K3 Ba7 Ti10 O27 F3\n1.0\n3.992043 0.000000 0.000000\n0.000000 3.992043 0.000000\n0.000000 0.000000 40.867623\nK Ba Ti O F\n3 7 10 27 3\ndirect\n0.000000 0.000000 0.600068 K\n0.000000 0.000000 0.800754 K\n0.000000 0.000000 0.899151 K\n0.000000 0.000000 0.999287 Ba\n0.000000 0.000000 0.099985 Ba\n0.000000 0.000000 0.200009 Ba\n0.000000 0.000000 0.299984 Ba\n0.000000 0.000000 0.400034 Ba\n0.000000 0.000000 0.500740 Ba\n0.000000 0.000000 0.699970 Ba\n0.500000 0.500000 0.050778 Ti\n0.500000 0.500000 0.249984 Ti\n0.500000 0.500000 0.150208 Ti\n0.500000 0.500000 0.449297 Ti\n0.500000 0.500000 0.349784 Ti\n0.500000 0.500000 0.547369 Ti\n0.500000 0.500000 0.747723 Ti\n0.500000 0.500000 0.651781 Ti\n0.500000 0.500000 0.850094 Ti\n0.500000 0.500000 0.952903 Ti\n0.000000 0.500000 0.050480 O\n0.000000 0.500000 0.150112 O\n0.000000 0.500000 0.250000 O\n0.000000 0.500000 0.349904 O\n0.000000 0.500000 0.449594 O\n0.000000 0.500000 0.548834 O\n0.000000 0.500000 0.650644 O\n0.000000 0.500000 0.749042 O\n0.000000 0.500000 0.850064 O\n0.000000 0.500000 0.951338 O\n0.500000 0.000000 0.050480 O\n0.500000 0.500000 0.000512 O\n0.500000 0.000000 0.150112 O\n0.500000 0.000000 0.250000 O\n0.500000 0.500000 0.200023 O\n0.500000 0.500000 0.100174 O\n0.500000 0.000000 0.349904 O\n0.500000 0.000000 0.449594 O\n0.500000 0.500000 0.399884 O\n0.500000 0.500000 0.300003 O\n0.500000 0.000000 0.548834 O\n0.500000 0.500000 0.499624 O\n0.500000 0.000000 0.749042 O\n0.500000 0.500000 0.699840 O\n0.500000 0.000000 0.650644 O\n0.500000 0.000000 0.850064 O\n0.500000 0.000000 0.951338 O\n0.500000 0.500000 0.599828 F\n0.500000 0.500000 0.799847 F\n0.500000 0.500000 0.900336 F\n",
            "nsites": 50,
            "nelements": 5,
            "elements": [
                "K",
                "Ba",
                "Ti",
                "O",
                "F"
            ],
            "chemical_system": "Ba-F-K-O-Ti",
            "density": 5.21716248800692,
            "density_atomic": 0.07677153156423616,
            "volume": 651.2830860768236,
            "volume_molar": 7.844236837923655,
            "formula_full": "K3 Ba7 Ti10 O27 F3",
            "formula_reduced": "K3Ba7Ti10(O9F)3",
            "formula_anonymous": "A3B3C7D10E27",
            "energy": -404.18566824,
            "energy_per_atom": -8.0837133648,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -384.25066824,
            "band_gap": 0.2909999999999999,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0010913,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:01.341000Z",
            "spacegroup": 99
        },
        {
            "id": "mp-40677",
            "created_at": "2022-09-04T14:44:12.443076Z",
            "structure_string": "K1 Ba4 Ti5 O14 F1\n1.0\n4.008904 0.000000 0.000000\n0.000000 4.008904 0.000000\n0.000000 0.000000 20.330792\nK Ba Ti O F\n1 4 5 14 1\ndirect\n0.000000 0.000000 0.500000 K\n0.000000 0.000000 0.697729 Ba\n0.000000 0.000000 0.899601 Ba\n0.000000 0.000000 0.100399 Ba\n0.000000 0.000000 0.302271 Ba\n0.500000 0.500000 0.800751 Ti\n0.500000 0.500000 0.199249 Ti\n0.500000 0.500000 0.000000 Ti\n0.500000 0.500000 0.604412 Ti\n0.500000 0.500000 0.395588 Ti\n0.000000 0.500000 0.800203 O\n0.000000 0.500000 0.000000 O\n0.000000 0.500000 0.199797 O\n0.000000 0.500000 0.398503 O\n0.000000 0.500000 0.601497 O\n0.500000 0.000000 0.800203 O\n0.500000 0.500000 0.700057 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.199797 O\n0.500000 0.500000 0.100045 O\n0.500000 0.500000 0.899955 O\n0.500000 0.000000 0.398503 O\n0.500000 0.000000 0.601497 O\n0.500000 0.500000 0.299943 O\n0.500000 0.500000 0.500000 F\n",
            "nsites": 25,
            "nelements": 5,
            "elements": [
                "K",
                "Ba",
                "Ti",
                "O",
                "F"
            ],
            "chemical_system": "Ba-F-K-O-Ti",
            "density": 5.441567076472163,
            "density_atomic": 0.07651285341823195,
            "volume": 326.742486825656,
            "volume_molar": 7.870756991746185,
            "formula_full": "K1 Ba4 Ti5 O14 F1",
            "formula_reduced": "KBa4Ti5O14F",
            "formula_anonymous": "ABC4D5E14",
            "energy": -204.90810019,
            "energy_per_atom": -8.1963240076,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -194.82810019,
            "band_gap": 1.1399,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0089039,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:29.321000Z",
            "spacegroup": 123
        }
    ]
}