GET /third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=1744
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=-formula_anonymous&page=1745",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=1743",
    "results": [
        {
            "id": "mp-1037750",
            "created_at": "2022-09-04T14:42:41.757580Z",
            "structure_string": "Y1 Mg30 Co1 O32\n1.0\n8.587020 0.000000 0.000000\n0.000000 8.587020 0.000000\n0.000000 0.000000 8.580709\nY Mg Co O\n1 30 1 32\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.259871 0.259871 0.000000 Mg\n0.740129 0.259871 0.000000 Mg\n0.259871 0.740129 0.000000 Mg\n0.740129 0.740129 0.000000 Mg\n0.251873 0.251873 0.500000 Mg\n0.748127 0.251873 0.500000 Mg\n0.251873 0.748127 0.500000 Mg\n0.748127 0.748127 0.500000 Mg\n0.257793 0.000000 0.255728 Mg\n0.742207 0.000000 0.255728 Mg\n0.253755 0.500000 0.248055 Mg\n0.746245 0.500000 0.248055 Mg\n0.257793 0.000000 0.744272 Mg\n0.742207 0.000000 0.744272 Mg\n0.253755 0.500000 0.751945 Mg\n0.746245 0.500000 0.751945 Mg\n0.000000 0.257793 0.255728 Mg\n0.500000 0.253755 0.248055 Mg\n0.000000 0.742207 0.255728 Mg\n0.500000 0.746245 0.248055 Mg\n0.000000 0.257793 0.744272 Mg\n0.500000 0.253755 0.751945 Mg\n0.000000 0.742207 0.744272 Mg\n0.500000 0.746245 0.751945 Mg\n0.500000 0.500000 0.000000 Co\n0.000000 0.000000 0.259616 O\n0.500000 0.000000 0.253568 O\n0.000000 0.500000 0.253568 O\n0.500000 0.500000 0.262504 O\n0.000000 0.000000 0.740384 O\n0.500000 0.000000 0.746432 O\n0.000000 0.500000 0.746432 O\n0.500000 0.500000 0.737496 O\n0.249518 0.249518 0.249241 O\n0.750482 0.249518 0.249241 O\n0.249518 0.750482 0.249241 O\n0.750482 0.750482 0.249241 O\n0.249518 0.249518 0.750759 O\n0.750482 0.249518 0.750759 O\n0.249518 0.750482 0.750759 O\n0.750482 0.750482 0.750759 O\n0.258256 0.000000 0.000000 O\n0.741744 0.000000 0.000000 O\n0.238715 0.500000 0.000000 O\n0.761285 0.500000 0.000000 O\n0.250830 0.000000 0.500000 O\n0.749170 0.000000 0.500000 O\n0.248061 0.500000 0.500000 O\n0.751939 0.500000 0.500000 O\n0.000000 0.258256 0.000000 O\n0.500000 0.238715 0.000000 O\n0.000000 0.741744 0.000000 O\n0.500000 0.761285 0.000000 O\n0.000000 0.250830 0.500000 O\n0.500000 0.248061 0.500000 O\n0.000000 0.749170 0.500000 O\n0.500000 0.751939 0.500000 O\n",
            "nsites": 64,
            "nelements": 4,
            "elements": [
                "Y",
                "Mg",
                "Co",
                "O"
            ],
            "chemical_system": "Co-Mg-O-Y",
            "density": 3.6453043339899396,
            "density_atomic": 0.10115138910552482,
            "volume": 632.7149885527807,
            "volume_molar": 5.9535917531666165,
            "formula_full": "Y1 Mg30 Co1 O32",
            "formula_reduced": "YMg30CoO32",
            "formula_anonymous": "ABC30D32",
            "energy": -411.22324441,
            "energy_per_atom": -6.42536319390625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -387.60124441,
            "band_gap": 1.0697,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 2.0091269,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:03.583000Z",
            "spacegroup": 123
        },
        {
            "id": "mp-1039764",
            "created_at": "2022-09-04T14:42:41.870480Z",
            "structure_string": "Na1 Mg30 Cr1 O32\n1.0\n8.534542 0.000000 0.000000\n0.000000 8.534542 0.000000\n0.000000 0.000000 8.532027\nNa Mg Cr O\n1 30 1 32\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.246458 0.246458 0.000000 Mg\n0.753542 0.246458 0.000000 Mg\n0.246458 0.753542 0.000000 Mg\n0.753542 0.753542 0.000000 Mg\n0.248696 0.248696 0.500000 Mg\n0.751304 0.248696 0.500000 Mg\n0.248696 0.751304 0.500000 Mg\n0.751304 0.751304 0.500000 Mg\n0.247715 0.000000 0.248929 Mg\n0.752285 0.000000 0.248929 Mg\n0.247572 0.500000 0.251003 Mg\n0.752428 0.500000 0.251003 Mg\n0.247715 0.000000 0.751071 Mg\n0.752285 0.000000 0.751071 Mg\n0.247572 0.500000 0.748997 Mg\n0.752428 0.500000 0.748997 Mg\n0.000000 0.247715 0.248929 Mg\n0.500000 0.247572 0.251003 Mg\n0.000000 0.752285 0.248929 Mg\n0.500000 0.752428 0.251003 Mg\n0.000000 0.247715 0.751071 Mg\n0.500000 0.247572 0.748997 Mg\n0.000000 0.752285 0.751071 Mg\n0.500000 0.752428 0.748997 Mg\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.262714 O\n0.500000 0.000000 0.250685 O\n0.000000 0.500000 0.250685 O\n0.500000 0.500000 0.242661 O\n0.000000 0.000000 0.737286 O\n0.500000 0.000000 0.749315 O\n0.000000 0.500000 0.749315 O\n0.500000 0.500000 0.757339 O\n0.250727 0.250727 0.249463 O\n0.749273 0.250727 0.249463 O\n0.250727 0.749273 0.249463 O\n0.749273 0.749273 0.249463 O\n0.250727 0.250727 0.750537 O\n0.749273 0.250727 0.750537 O\n0.250727 0.749273 0.750537 O\n0.749273 0.749273 0.750537 O\n0.264609 0.000000 0.000000 O\n0.735391 0.000000 0.000000 O\n0.259633 0.500000 0.000000 O\n0.740367 0.500000 0.000000 O\n0.253078 0.000000 0.500000 O\n0.746922 0.000000 0.500000 O\n0.252869 0.500000 0.500000 O\n0.747131 0.500000 0.500000 O\n0.000000 0.264609 0.000000 O\n0.500000 0.259633 0.000000 O\n0.000000 0.735391 0.000000 O\n0.500000 0.740367 0.000000 O\n0.000000 0.253078 0.500000 O\n0.500000 0.252869 0.500000 O\n0.000000 0.746922 0.500000 O\n0.500000 0.747131 0.500000 O\n",
            "nsites": 64,
            "nelements": 4,
            "elements": [
                "Na",
                "Mg",
                "Cr",
                "O"
            ],
            "chemical_system": "Cr-Mg-Na-O",
            "density": 3.516663599262366,
            "density_atomic": 0.10298342061351966,
            "volume": 621.4592564387794,
            "volume_molar": 5.847679873248853,
            "formula_full": "Na1 Mg30 Cr1 O32",
            "formula_reduced": "NaMg30CrO32",
            "formula_anonymous": "ABC30D32",
            "energy": -408.6577895,
            "energy_per_atom": -6.3852779609375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -384.6747895,
            "band_gap": 3.6705,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 3.0036226,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:57.117000Z",
            "spacegroup": 123
        },
        {
            "id": "mp-1038363",
            "created_at": "2022-09-04T14:42:43.486618Z",
            "structure_string": "Hf1 Mg30 Sb1 O32\n1.0\n8.707147 0.000000 0.000000\n0.000000 8.707147 0.000000\n0.000000 0.000000 8.654501\nHf Mg Sb O\n1 30 1 32\ndirect\n0.500000 0.500000 0.000000 Hf\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.242719 0.242719 0.000000 Mg\n0.757281 0.242719 0.000000 Mg\n0.242719 0.757281 0.000000 Mg\n0.757281 0.757281 0.000000 Mg\n0.248695 0.248695 0.500000 Mg\n0.751305 0.248695 0.500000 Mg\n0.248695 0.751305 0.500000 Mg\n0.751305 0.751305 0.500000 Mg\n0.249623 0.000000 0.252424 Mg\n0.750377 0.000000 0.252424 Mg\n0.242166 0.500000 0.256978 Mg\n0.757834 0.500000 0.256978 Mg\n0.249623 0.000000 0.747576 Mg\n0.750377 0.000000 0.747576 Mg\n0.242166 0.500000 0.743022 Mg\n0.757834 0.500000 0.743022 Mg\n0.000000 0.249623 0.252424 Mg\n0.500000 0.242166 0.256978 Mg\n0.000000 0.750377 0.252424 Mg\n0.500000 0.757834 0.256978 Mg\n0.000000 0.249623 0.747576 Mg\n0.500000 0.242166 0.743022 Mg\n0.000000 0.750377 0.747576 Mg\n0.500000 0.757834 0.743022 Mg\n0.000000 0.000000 0.000000 Sb\n0.000000 0.000000 0.281641 O\n0.500000 0.000000 0.256991 O\n0.000000 0.500000 0.256991 O\n0.500000 0.500000 0.244136 O\n0.000000 0.000000 0.718359 O\n0.500000 0.000000 0.743009 O\n0.000000 0.500000 0.743009 O\n0.500000 0.500000 0.755864 O\n0.252498 0.252498 0.250549 O\n0.747502 0.252498 0.250549 O\n0.252498 0.747502 0.250549 O\n0.747502 0.747502 0.250549 O\n0.252498 0.252498 0.749451 O\n0.747502 0.252498 0.749451 O\n0.252498 0.747502 0.749451 O\n0.747502 0.747502 0.749451 O\n0.286184 0.000000 0.000000 O\n0.713816 0.000000 0.000000 O\n0.260316 0.500000 0.000000 O\n0.739684 0.500000 0.000000 O\n0.257165 0.000000 0.500000 O\n0.742835 0.000000 0.500000 O\n0.254578 0.500000 0.500000 O\n0.745422 0.500000 0.500000 O\n0.000000 0.286184 0.000000 O\n0.500000 0.260316 0.000000 O\n0.000000 0.713816 0.000000 O\n0.500000 0.739684 0.000000 O\n0.000000 0.257165 0.500000 O\n0.500000 0.254578 0.500000 O\n0.000000 0.742835 0.500000 O\n0.500000 0.745422 0.500000 O\n",
            "nsites": 64,
            "nelements": 4,
            "elements": [
                "Hf",
                "Mg",
                "Sb",
                "O"
            ],
            "chemical_system": "Hf-Mg-O-Sb",
            "density": 3.9009039481331405,
            "density_atomic": 0.09754077196245142,
            "volume": 656.1358774629851,
            "volume_molar": 6.173972830887825,
            "formula_full": "Hf1 Mg30 Sb1 O32",
            "formula_reduced": "HfMg30SbO32",
            "formula_anonymous": "ABC30D32",
            "energy": -404.43007406,
            "energy_per_atom": -6.3192199071875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -382.44607406,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 2.8708169,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:59.474000Z",
            "spacegroup": 123
        },
        {
            "id": "mp-1036672",
            "created_at": "2022-09-04T14:42:43.006649Z",
            "structure_string": "Sr1 Mg30 Sn1 O32\n1.0\n8.676182 0.000000 0.000000\n0.000000 8.676182 0.000000\n0.000000 0.000000 8.668339\nSr Mg Sn O\n1 30 1 32\ndirect\n0.500000 0.500000 0.000000 Sr\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.249342 0.249342 0.000000 Mg\n0.750658 0.249342 0.000000 Mg\n0.249342 0.750658 0.000000 Mg\n0.750658 0.750658 0.000000 Mg\n0.249974 0.249974 0.500000 Mg\n0.750026 0.249974 0.500000 Mg\n0.249974 0.750026 0.500000 Mg\n0.750026 0.750026 0.500000 Mg\n0.254091 0.000000 0.254605 Mg\n0.745909 0.000000 0.254605 Mg\n0.245199 0.500000 0.255244 Mg\n0.754801 0.500000 0.255244 Mg\n0.254091 0.000000 0.745395 Mg\n0.745909 0.000000 0.745395 Mg\n0.245199 0.500000 0.744756 Mg\n0.754801 0.500000 0.744756 Mg\n0.000000 0.254091 0.254605 Mg\n0.500000 0.245199 0.255244 Mg\n0.000000 0.745909 0.254605 Mg\n0.500000 0.754801 0.255244 Mg\n0.000000 0.254091 0.745395 Mg\n0.500000 0.245199 0.744756 Mg\n0.000000 0.745909 0.745395 Mg\n0.500000 0.754801 0.744756 Mg\n0.000000 0.000000 0.000000 Sn\n0.000000 0.000000 0.270023 O\n0.500000 0.000000 0.256653 O\n0.000000 0.500000 0.256653 O\n0.500000 0.500000 0.270300 O\n0.000000 0.000000 0.729977 O\n0.500000 0.000000 0.743347 O\n0.000000 0.500000 0.743347 O\n0.500000 0.500000 0.729700 O\n0.249901 0.249901 0.249431 O\n0.750099 0.249901 0.249431 O\n0.249901 0.750099 0.249431 O\n0.750099 0.750099 0.249431 O\n0.249901 0.249901 0.750569 O\n0.750099 0.249901 0.750569 O\n0.249901 0.750099 0.750569 O\n0.750099 0.750099 0.750569 O\n0.267245 0.000000 0.000000 O\n0.732755 0.000000 0.000000 O\n0.231935 0.500000 0.000000 O\n0.768065 0.500000 0.000000 O\n0.252609 0.000000 0.500000 O\n0.747391 0.000000 0.500000 O\n0.247025 0.500000 0.500000 O\n0.752975 0.500000 0.500000 O\n0.000000 0.267245 0.000000 O\n0.500000 0.231935 0.000000 O\n0.000000 0.732755 0.000000 O\n0.500000 0.768065 0.000000 O\n0.000000 0.252609 0.500000 O\n0.500000 0.247025 0.500000 O\n0.000000 0.747391 0.500000 O\n0.500000 0.752975 0.500000 O\n",
            "nsites": 64,
            "nelements": 4,
            "elements": [
                "Sr",
                "Mg",
                "Sn",
                "O"
            ],
            "chemical_system": "Mg-O-Sn-Sr",
            "density": 3.6835173005151067,
            "density_atomic": 0.09808142781682479,
            "volume": 652.5190489633299,
            "volume_molar": 6.139939939747664,
            "formula_full": "Sr1 Mg30 Sn1 O32",
            "formula_reduced": "SrMg30SnO32",
            "formula_anonymous": "ABC30D32",
            "energy": -399.12253298,
            "energy_per_atom": -6.2362895778125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -377.13853298,
            "band_gap": 1.7466,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0024232,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:59.356000Z",
            "spacegroup": 123
        },
        {
            "id": "mp-1037958",
            "created_at": "2022-09-04T14:42:43.607684Z",
            "structure_string": "Ba1 Mg30 Al1 O32\n1.0\n8.703600 0.000000 0.000000\n0.000000 8.703600 0.000000\n0.000000 0.000000 8.627074\nBa Mg Al O\n1 30 1 32\ndirect\n0.000000 0.000000 0.500000 Ba\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.259680 0.000000 0.243931 Mg\n0.259680 0.000000 0.756069 Mg\n0.740320 0.000000 0.243931 Mg\n0.740320 0.000000 0.756069 Mg\n0.251504 0.500000 0.249695 Mg\n0.251504 0.500000 0.750305 Mg\n0.748496 0.500000 0.249695 Mg\n0.748496 0.500000 0.750305 Mg\n0.000000 0.259680 0.243931 Mg\n0.000000 0.259680 0.756069 Mg\n0.500000 0.251504 0.249695 Mg\n0.500000 0.251504 0.750305 Mg\n0.000000 0.740320 0.243931 Mg\n0.000000 0.740320 0.756069 Mg\n0.500000 0.748496 0.249695 Mg\n0.500000 0.748496 0.750305 Mg\n0.251187 0.251187 0.000000 Mg\n0.258185 0.258185 0.500000 Mg\n0.748813 0.251187 0.000000 Mg\n0.741815 0.258185 0.500000 Mg\n0.251187 0.748813 0.000000 Mg\n0.258185 0.741815 0.500000 Mg\n0.748813 0.748813 0.000000 Mg\n0.741815 0.741815 0.500000 Mg\n0.000000 0.000000 0.000000 Al\n0.000000 0.240571 0.000000 O\n0.000000 0.278588 0.500000 O\n0.500000 0.248769 0.000000 O\n0.500000 0.255670 0.500000 O\n0.000000 0.759429 0.000000 O\n0.000000 0.721412 0.500000 O\n0.500000 0.751231 0.000000 O\n0.500000 0.744330 0.500000 O\n0.248817 0.248817 0.250287 O\n0.248817 0.248817 0.749713 O\n0.751183 0.248817 0.250287 O\n0.751183 0.248817 0.749713 O\n0.248817 0.751183 0.250287 O\n0.248817 0.751183 0.749713 O\n0.751183 0.751183 0.250287 O\n0.751183 0.751183 0.749713 O\n0.000000 0.000000 0.211217 O\n0.000000 0.000000 0.788783 O\n0.500000 0.000000 0.241260 O\n0.500000 0.000000 0.758740 O\n0.000000 0.500000 0.241260 O\n0.000000 0.500000 0.758740 O\n0.500000 0.500000 0.247807 O\n0.500000 0.500000 0.752193 O\n0.240571 0.000000 0.000000 O\n0.278588 0.000000 0.500000 O\n0.759429 0.000000 0.000000 O\n0.721412 0.000000 0.500000 O\n0.248769 0.500000 0.000000 O\n0.255670 0.500000 0.500000 O\n0.751231 0.500000 0.000000 O\n0.744330 0.500000 0.500000 O\n",
            "nsites": 64,
            "nelements": 4,
            "elements": [
                "Ba",
                "Mg",
                "Al",
                "O"
            ],
            "chemical_system": "Al-Ba-Mg-O",
            "density": 3.5710820811898296,
            "density_atomic": 0.09793064246990255,
            "volume": 653.523742782239,
            "volume_molar": 6.1493937016198075,
            "formula_full": "Ba1 Mg30 Al1 O32",
            "formula_reduced": "BaMg30AlO32",
            "formula_anonymous": "ABC30D32",
            "energy": -400.45965236,
            "energy_per_atom": -6.257182068125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -378.47565236,
            "band_gap": 0.3596000000000003,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.002055,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:54.848000Z",
            "spacegroup": 123
        },
        {
            "id": "mp-1037450",
            "created_at": "2022-09-04T14:41:22.872494Z",
            "structure_string": "Mg30 Zn1 Cd1 O32\n1.0\n8.570880 0.000000 0.000000\n0.000000 8.570880 0.000000\n0.000000 0.000000 8.565818\nMg Zn Cd O\n30 1 1 32\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.252309 0.000000 0.247730 Mg\n0.252309 0.000000 0.752270 Mg\n0.747691 0.000000 0.247730 Mg\n0.747691 0.000000 0.752270 Mg\n0.249862 0.500000 0.249891 Mg\n0.249862 0.500000 0.750109 Mg\n0.750138 0.500000 0.249891 Mg\n0.750138 0.500000 0.750109 Mg\n0.000000 0.252309 0.247730 Mg\n0.000000 0.252309 0.752270 Mg\n0.500000 0.249862 0.249891 Mg\n0.500000 0.249862 0.750109 Mg\n0.000000 0.747691 0.247730 Mg\n0.000000 0.747691 0.752270 Mg\n0.500000 0.750138 0.249891 Mg\n0.500000 0.750138 0.750109 Mg\n0.249812 0.249812 0.000000 Mg\n0.252041 0.252041 0.500000 Mg\n0.750188 0.249812 0.000000 Mg\n0.747959 0.252041 0.500000 Mg\n0.249812 0.750188 0.000000 Mg\n0.252041 0.747959 0.500000 Mg\n0.750188 0.750188 0.000000 Mg\n0.747959 0.747959 0.500000 Mg\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.500000 Cd\n0.000000 0.255670 0.000000 O\n0.000000 0.263717 0.500000 O\n0.500000 0.250467 0.000000 O\n0.500000 0.251816 0.500000 O\n0.000000 0.744330 0.000000 O\n0.000000 0.736283 0.500000 O\n0.500000 0.749533 0.000000 O\n0.500000 0.748184 0.500000 O\n0.249296 0.249296 0.250287 O\n0.249296 0.249296 0.749713 O\n0.750704 0.249296 0.250287 O\n0.750704 0.249296 0.749713 O\n0.249296 0.750704 0.250287 O\n0.249296 0.750704 0.749713 O\n0.750704 0.750704 0.250287 O\n0.750704 0.750704 0.749713 O\n0.000000 0.000000 0.237741 O\n0.000000 0.000000 0.762259 O\n0.500000 0.000000 0.248528 O\n0.500000 0.000000 0.751472 O\n0.000000 0.500000 0.248528 O\n0.000000 0.500000 0.751472 O\n0.500000 0.500000 0.249868 O\n0.500000 0.500000 0.750132 O\n0.255670 0.000000 0.000000 O\n0.263717 0.000000 0.500000 O\n0.744330 0.000000 0.000000 O\n0.736283 0.000000 0.500000 O\n0.250467 0.500000 0.000000 O\n0.251816 0.500000 0.500000 O\n0.749533 0.500000 0.000000 O\n0.748184 0.500000 0.500000 O\n",
            "nsites": 64,
            "nelements": 4,
            "elements": [
                "Mg",
                "Zn",
                "Cd",
                "O"
            ],
            "chemical_system": "Cd-Mg-O-Zn",
            "density": 3.7445252443801285,
            "density_atomic": 0.1017092149329416,
            "volume": 629.2448530076272,
            "volume_molar": 5.9209391833085006,
            "formula_full": "Mg30 Zn1 Cd1 O32",
            "formula_reduced": "Mg30ZnCdO32",
            "formula_anonymous": "ABC30D32",
            "energy": -396.93126527,
            "energy_per_atom": -6.20205101984375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -374.94726527,
            "band_gap": 3.3201,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0053357,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:15.684000Z",
            "spacegroup": 123
        },
        {
            "id": "mp-1040012",
            "created_at": "2022-09-04T14:41:22.322746Z",
            "structure_string": "Li1 Mg30 Sb1 O32\n1.0\n8.576756 0.000000 0.000000\n0.000000 8.576756 0.000000\n0.000000 0.000000 8.572260\nLi Mg Sb O\n1 30 1 32\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.252814 0.000000 0.240234 Mg\n0.252814 0.000000 0.759766 Mg\n0.747186 0.000000 0.240234 Mg\n0.747186 0.000000 0.759766 Mg\n0.250016 0.500000 0.248233 Mg\n0.250016 0.500000 0.751767 Mg\n0.749984 0.500000 0.248233 Mg\n0.749984 0.500000 0.751767 Mg\n0.000000 0.252814 0.240234 Mg\n0.000000 0.252814 0.759766 Mg\n0.500000 0.250016 0.248233 Mg\n0.500000 0.250016 0.751767 Mg\n0.000000 0.747186 0.240234 Mg\n0.000000 0.747186 0.759766 Mg\n0.500000 0.749984 0.248233 Mg\n0.500000 0.749984 0.751767 Mg\n0.247554 0.247554 0.000000 Mg\n0.255599 0.255599 0.500000 Mg\n0.752446 0.247554 0.000000 Mg\n0.744401 0.255599 0.500000 Mg\n0.247554 0.752446 0.000000 Mg\n0.255599 0.744401 0.500000 Mg\n0.752446 0.752446 0.000000 Mg\n0.744401 0.744401 0.500000 Mg\n0.000000 0.000000 0.500000 Sb\n0.000000 0.259012 0.000000 O\n0.000000 0.262716 0.500000 O\n0.500000 0.251423 0.000000 O\n0.500000 0.251928 0.500000 O\n0.000000 0.740988 0.000000 O\n0.000000 0.737284 0.500000 O\n0.500000 0.748577 0.000000 O\n0.500000 0.748072 0.500000 O\n0.249226 0.249226 0.251342 O\n0.249226 0.249226 0.748658 O\n0.750774 0.249226 0.251342 O\n0.750774 0.249226 0.748658 O\n0.249226 0.750774 0.251342 O\n0.249226 0.750774 0.748658 O\n0.750774 0.750774 0.251342 O\n0.750774 0.750774 0.748658 O\n0.000000 0.000000 0.239117 O\n0.000000 0.000000 0.760883 O\n0.500000 0.000000 0.250153 O\n0.500000 0.000000 0.749847 O\n0.000000 0.500000 0.250153 O\n0.000000 0.500000 0.749847 O\n0.500000 0.500000 0.250619 O\n0.500000 0.500000 0.749381 O\n0.259012 0.000000 0.000000 O\n0.262716 0.000000 0.500000 O\n0.740988 0.000000 0.000000 O\n0.737284 0.000000 0.500000 O\n0.251423 0.500000 0.000000 O\n0.251928 0.500000 0.500000 O\n0.748577 0.500000 0.000000 O\n0.748072 0.500000 0.500000 O\n",
            "nsites": 64,
            "nelements": 4,
            "elements": [
                "Li",
                "Mg",
                "Sb",
                "O"
            ],
            "chemical_system": "Li-Mg-O-Sb",
            "density": 3.6072388233705794,
            "density_atomic": 0.10149357003056995,
            "volume": 630.5818189341762,
            "volume_molar": 5.933519491122566,
            "formula_full": "Li1 Mg30 Sb1 O32",
            "formula_reduced": "LiMg30SbO32",
            "formula_anonymous": "ABC30D32",
            "energy": -401.00897233,
            "energy_per_atom": -6.26576519265625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -379.02497233,
            "band_gap": 2.6566,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0130509,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:18.908000Z",
            "spacegroup": 123
        },
        {
            "id": "mp-1036968",
            "created_at": "2022-09-04T14:41:17.742270Z",
            "structure_string": "Mg30 Co1 B1 O32\n1.0\n8.457623 0.000000 0.000000\n0.000000 8.457623 0.000000\n0.000000 0.000000 8.534378\nMg Co B O\n30 1 1 32\ndirect\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.249454 0.249454 0.000000 Mg\n0.249454 0.750546 0.000000 Mg\n0.750546 0.249454 0.000000 Mg\n0.750546 0.750546 0.000000 Mg\n0.249092 0.249092 0.500000 Mg\n0.249092 0.750908 0.500000 Mg\n0.750908 0.249092 0.500000 Mg\n0.750908 0.750908 0.500000 Mg\n0.000000 0.247325 0.247319 Mg\n0.000000 0.752675 0.247319 Mg\n0.500000 0.254266 0.250104 Mg\n0.500000 0.745734 0.250104 Mg\n0.000000 0.247325 0.752681 Mg\n0.000000 0.752675 0.752681 Mg\n0.500000 0.254266 0.749896 Mg\n0.500000 0.745734 0.749896 Mg\n0.247325 0.000000 0.247319 Mg\n0.254266 0.500000 0.250104 Mg\n0.752675 0.000000 0.247319 Mg\n0.745734 0.500000 0.250104 Mg\n0.247325 0.000000 0.752681 Mg\n0.254266 0.500000 0.749896 Mg\n0.752675 0.000000 0.752681 Mg\n0.745734 0.500000 0.749896 Mg\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 B\n0.000000 0.000000 0.260248 O\n0.000000 0.500000 0.244718 O\n0.500000 0.000000 0.244718 O\n0.500000 0.500000 0.252712 O\n0.000000 0.000000 0.739752 O\n0.000000 0.500000 0.755282 O\n0.500000 0.000000 0.755282 O\n0.500000 0.500000 0.747288 O\n0.250567 0.250567 0.248213 O\n0.250567 0.749433 0.248213 O\n0.749433 0.250567 0.248213 O\n0.749433 0.749433 0.248213 O\n0.250567 0.250567 0.751787 O\n0.250567 0.749433 0.751787 O\n0.749433 0.250567 0.751787 O\n0.749433 0.749433 0.751787 O\n0.000000 0.266635 0.000000 O\n0.000000 0.733365 0.000000 O\n0.500000 0.293800 0.000000 O\n0.500000 0.706200 0.000000 O\n0.000000 0.252438 0.500000 O\n0.000000 0.747562 0.500000 O\n0.500000 0.249896 0.500000 O\n0.500000 0.750104 0.500000 O\n0.266635 0.000000 0.000000 O\n0.293800 0.500000 0.000000 O\n0.733365 0.000000 0.000000 O\n0.706200 0.500000 0.000000 O\n0.252438 0.000000 0.500000 O\n0.249896 0.500000 0.500000 O\n0.747562 0.000000 0.500000 O\n0.750104 0.500000 0.500000 O\n",
            "nsites": 64,
            "nelements": 4,
            "elements": [
                "Mg",
                "Co",
                "B",
                "O"
            ],
            "chemical_system": "B-Co-Mg-O",
            "density": 3.5656758315448442,
            "density_atomic": 0.10483624437804442,
            "volume": 610.4758939018551,
            "volume_molar": 5.744330880724683,
            "formula_full": "Mg30 Co1 B1 O32",
            "formula_reduced": "Mg30CoBO32",
            "formula_anonymous": "ABC30D32",
            "energy": -405.27980779,
            "energy_per_atom": -6.33249699671875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -381.65780779,
            "band_gap": 1.0942999999999996,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 2.0000584,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:14.237000Z",
            "spacegroup": 123
        },
        {
            "id": "mp-1037923",
            "created_at": "2022-09-04T14:41:17.346241Z",
            "structure_string": "Mg30 Mn1 Fe1 O32\n1.0\n8.547630 0.000000 0.000000\n0.000000 8.547630 0.000000\n0.000000 0.000000 8.525988\nMg Mn Fe O\n30 1 1 32\ndirect\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.251253 0.251253 0.000000 Mg\n0.748747 0.251253 0.000000 Mg\n0.251253 0.748747 0.000000 Mg\n0.748747 0.748747 0.000000 Mg\n0.249965 0.249965 0.500000 Mg\n0.750035 0.249965 0.500000 Mg\n0.249965 0.750035 0.500000 Mg\n0.750035 0.750035 0.500000 Mg\n0.250713 0.000000 0.250475 Mg\n0.749287 0.000000 0.250475 Mg\n0.248788 0.500000 0.249882 Mg\n0.751212 0.500000 0.249882 Mg\n0.250713 0.000000 0.749525 Mg\n0.749287 0.000000 0.749525 Mg\n0.248788 0.500000 0.750118 Mg\n0.751212 0.500000 0.750118 Mg\n0.000000 0.250713 0.250475 Mg\n0.500000 0.248788 0.249882 Mg\n0.000000 0.749287 0.250475 Mg\n0.500000 0.751212 0.249882 Mg\n0.000000 0.250713 0.749525 Mg\n0.500000 0.248788 0.750118 Mg\n0.000000 0.749287 0.749525 Mg\n0.500000 0.751212 0.750118 Mg\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.256600 O\n0.500000 0.000000 0.251489 O\n0.000000 0.500000 0.251489 O\n0.500000 0.500000 0.250264 O\n0.000000 0.000000 0.743400 O\n0.500000 0.000000 0.748511 O\n0.000000 0.500000 0.748511 O\n0.500000 0.500000 0.749736 O\n0.250136 0.250136 0.249772 O\n0.749864 0.250136 0.249772 O\n0.250136 0.749864 0.249772 O\n0.749864 0.749864 0.249772 O\n0.250136 0.250136 0.750228 O\n0.749864 0.250136 0.750228 O\n0.250136 0.749864 0.750228 O\n0.749864 0.749864 0.750228 O\n0.255734 0.000000 0.000000 O\n0.744266 0.000000 0.000000 O\n0.244570 0.500000 0.000000 O\n0.755430 0.500000 0.000000 O\n0.250752 0.000000 0.500000 O\n0.749248 0.000000 0.500000 O\n0.250607 0.500000 0.500000 O\n0.749393 0.500000 0.500000 O\n0.000000 0.255734 0.000000 O\n0.500000 0.244570 0.000000 O\n0.000000 0.744266 0.000000 O\n0.500000 0.755430 0.000000 O\n0.000000 0.250752 0.500000 O\n0.500000 0.250607 0.500000 O\n0.000000 0.749248 0.500000 O\n0.500000 0.749393 0.500000 O\n",
            "nsites": 64,
            "nelements": 4,
            "elements": [
                "Mg",
                "Mn",
                "Fe",
                "O"
            ],
            "chemical_system": "Fe-Mg-Mn-O",
            "density": 3.6038106699757186,
            "density_atomic": 0.10274100925469508,
            "volume": 622.925552943946,
            "volume_molar": 5.861477129420742,
            "formula_full": "Mg30 Mn1 Fe1 O32",
            "formula_reduced": "Mg30MnFeO32",
            "formula_anonymous": "ABC30D32",
            "energy": -413.84527587,
            "energy_per_atom": -6.46633243546875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -387.93727587,
            "band_gap": 2.932200000000001,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 9.0017485,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:15.038000Z",
            "spacegroup": 123
        },
        {
            "id": "mp-1038016",
            "created_at": "2022-09-04T14:39:15.486853Z",
            "structure_string": "Ca1 Mg30 Si1 O32\n1.0\n8.589811 0.000000 0.000000\n0.000000 8.589811 0.000000\n0.000000 0.000000 8.590413\nCa Mg Si O\n1 30 1 32\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.251466 0.251466 0.000000 Mg\n0.251466 0.748534 0.000000 Mg\n0.748534 0.251466 0.000000 Mg\n0.748534 0.748534 0.000000 Mg\n0.250277 0.250277 0.500000 Mg\n0.250277 0.749723 0.500000 Mg\n0.749723 0.250277 0.500000 Mg\n0.749723 0.749723 0.500000 Mg\n0.000000 0.252964 0.252936 Mg\n0.000000 0.747036 0.252936 Mg\n0.500000 0.248834 0.251782 Mg\n0.500000 0.751166 0.251782 Mg\n0.000000 0.252964 0.747064 Mg\n0.000000 0.747036 0.747064 Mg\n0.500000 0.248834 0.748218 Mg\n0.500000 0.751166 0.748218 Mg\n0.252964 0.000000 0.252936 Mg\n0.248834 0.500000 0.251782 Mg\n0.747036 0.000000 0.252936 Mg\n0.751166 0.500000 0.251782 Mg\n0.252964 0.000000 0.747064 Mg\n0.248834 0.500000 0.748218 Mg\n0.747036 0.000000 0.747064 Mg\n0.751166 0.500000 0.748218 Mg\n0.500000 0.500000 0.000000 Si\n0.000000 0.000000 0.262444 O\n0.000000 0.500000 0.253475 O\n0.500000 0.000000 0.253475 O\n0.500000 0.500000 0.260339 O\n0.000000 0.000000 0.737556 O\n0.000000 0.500000 0.746525 O\n0.500000 0.000000 0.746525 O\n0.500000 0.500000 0.739661 O\n0.250307 0.250307 0.249423 O\n0.250307 0.749693 0.249423 O\n0.749693 0.250307 0.249423 O\n0.749693 0.749693 0.249423 O\n0.250307 0.250307 0.750577 O\n0.250307 0.749693 0.750577 O\n0.749693 0.250307 0.750577 O\n0.749693 0.749693 0.750577 O\n0.000000 0.261333 0.000000 O\n0.000000 0.738667 0.000000 O\n0.500000 0.242135 0.000000 O\n0.500000 0.757865 0.000000 O\n0.000000 0.251876 0.500000 O\n0.000000 0.748124 0.500000 O\n0.500000 0.249012 0.500000 O\n0.500000 0.750988 0.500000 O\n0.261333 0.000000 0.000000 O\n0.242135 0.500000 0.000000 O\n0.738667 0.000000 0.000000 O\n0.757865 0.500000 0.000000 O\n0.251876 0.000000 0.500000 O\n0.249012 0.500000 0.500000 O\n0.748124 0.000000 0.500000 O\n0.750988 0.500000 0.500000 O\n",
            "nsites": 64,
            "nelements": 4,
            "elements": [
                "Ca",
                "Mg",
                "Si",
                "O"
            ],
            "chemical_system": "Ca-Mg-O-Si",
            "density": 3.43008683254054,
            "density_atomic": 0.10097147805730822,
            "volume": 633.8423605493388,
            "volume_molar": 5.964199866998108,
            "formula_full": "Ca1 Mg30 Si1 O32",
            "formula_reduced": "CaMg30SiO32",
            "formula_anonymous": "ABC30D32",
            "energy": -403.47498379,
            "energy_per_atom": -6.30429662171875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -381.49098379,
            "band_gap": 1.8760999999999992,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0004493,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:25.931000Z",
            "spacegroup": 123
        },
        {
            "id": "mp-1040397",
            "created_at": "2022-09-04T14:39:19.602687Z",
            "structure_string": "Mg30 Ti1 Bi1 O32\n1.0\n8.636059 0.000000 -0.000000\n-0.000000 8.647564 0.000000\n0.000000 0.000000 8.647564\nMg Ti Bi O\n30 1 1 32\ndirect\n-0.000000 -0.000000 0.500000 Mg\n-0.000000 0.500000 -0.000000 Mg\n0.500000 -0.000000 -0.000000 Mg\n0.500000 -0.000000 0.500000 Mg\n0.500000 0.500000 -0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n-0.000000 0.242456 0.242456 Mg\n-0.000000 0.242456 0.757544 Mg\n-0.000000 0.757544 0.242456 Mg\n-0.000000 0.757544 0.757544 Mg\n0.500000 0.248742 0.248742 Mg\n0.500000 0.248742 0.751258 Mg\n0.500000 0.751258 0.248742 Mg\n0.500000 0.751258 0.751258 Mg\n0.251149 -0.000000 0.249452 Mg\n0.251149 -0.000000 0.750548 Mg\n0.256979 0.500000 0.242631 Mg\n0.256979 0.500000 0.757369 Mg\n0.748851 -0.000000 0.249452 Mg\n0.748851 -0.000000 0.750548 Mg\n0.743021 0.500000 0.242631 Mg\n0.743021 0.500000 0.757369 Mg\n0.251149 0.249452 -0.000000 Mg\n0.256979 0.242631 0.500000 Mg\n0.251149 0.750548 -0.000000 Mg\n0.256979 0.757369 0.500000 Mg\n0.748851 0.249452 -0.000000 Mg\n0.743021 0.242631 0.500000 Mg\n0.748851 0.750548 -0.000000 Mg\n0.743021 0.757369 0.500000 Mg\n-0.000000 -0.000000 -0.000000 Ti\n-0.000000 0.500000 0.500000 Bi\n0.257592 -0.000000 -0.000000 O\n0.253943 -0.000000 0.500000 O\n0.253943 0.500000 -0.000000 O\n0.268304 0.500000 0.500000 O\n0.742408 -0.000000 -0.000000 O\n0.746057 -0.000000 0.500000 O\n0.746057 0.500000 -0.000000 O\n0.731696 0.500000 0.500000 O\n0.249277 0.250772 0.250772 O\n0.249277 0.250772 0.749228 O\n0.249277 0.749228 0.250772 O\n0.249277 0.749228 0.749228 O\n0.750723 0.250772 0.250772 O\n0.750723 0.250772 0.749228 O\n0.750723 0.749228 0.250772 O\n0.750723 0.749228 0.749228 O\n-0.000000 -0.000000 0.257708 O\n-0.000000 -0.000000 0.742292 O\n-0.000000 0.500000 0.233015 O\n-0.000000 0.500000 0.766985 O\n0.500000 -0.000000 0.250502 O\n0.500000 -0.000000 0.749498 O\n0.500000 0.500000 0.247646 O\n0.500000 0.500000 0.752354 O\n-0.000000 0.257708 -0.000000 O\n-0.000000 0.233015 0.500000 O\n-0.000000 0.742292 -0.000000 O\n-0.000000 0.766985 0.500000 O\n0.500000 0.250502 -0.000000 O\n0.500000 0.247646 0.500000 O\n0.500000 0.749498 -0.000000 O\n0.500000 0.752354 0.500000 O\n",
            "nsites": 64,
            "nelements": 4,
            "elements": [
                "Mg",
                "Ti",
                "Bi",
                "O"
            ],
            "chemical_system": "Bi-Mg-O-Ti",
            "density": 3.851690834712848,
            "density_atomic": 0.09910071857081394,
            "volume": 645.8076280674778,
            "volume_molar": 6.076788187662623,
            "formula_full": "Mg30 Ti1 Bi1 O32",
            "formula_reduced": "Mg30TiBiO32",
            "formula_anonymous": "ABC30D32",
            "energy": -402.68338958,
            "energy_per_atom": -6.2919279621875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -380.69938958,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 2.3978009,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:31.680000Z",
            "spacegroup": 123
        },
        {
            "id": "mp-1036735",
            "created_at": "2022-09-04T14:39:12.434255Z",
            "structure_string": "Mg30 V1 Cd1 O32\n1.0\n8.571304 0.000000 0.000000\n0.000000 8.571304 0.000000\n0.000000 0.000000 8.569593\nMg V Cd O\n30 1 1 32\ndirect\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.248159 0.248159 0.000000 Mg\n0.751841 0.248159 0.000000 Mg\n0.248159 0.751841 0.000000 Mg\n0.751841 0.751841 0.000000 Mg\n0.249834 0.249834 0.500000 Mg\n0.750166 0.249834 0.500000 Mg\n0.249834 0.750166 0.500000 Mg\n0.750166 0.750166 0.500000 Mg\n0.250366 0.000000 0.250497 Mg\n0.749634 0.000000 0.250497 Mg\n0.247629 0.500000 0.252211 Mg\n0.752371 0.500000 0.252211 Mg\n0.250366 0.000000 0.749503 Mg\n0.749634 0.000000 0.749503 Mg\n0.247629 0.500000 0.747789 Mg\n0.752371 0.500000 0.747789 Mg\n0.000000 0.250366 0.250497 Mg\n0.500000 0.247629 0.252211 Mg\n0.000000 0.749634 0.250497 Mg\n0.500000 0.752371 0.252211 Mg\n0.000000 0.250366 0.749503 Mg\n0.500000 0.247629 0.747789 Mg\n0.000000 0.749634 0.749503 Mg\n0.500000 0.752371 0.747789 Mg\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.000000 Cd\n0.000000 0.000000 0.255119 O\n0.500000 0.000000 0.252191 O\n0.000000 0.500000 0.252191 O\n0.500000 0.500000 0.263897 O\n0.000000 0.000000 0.744881 O\n0.500000 0.000000 0.747809 O\n0.000000 0.500000 0.747809 O\n0.500000 0.500000 0.736103 O\n0.250201 0.250201 0.249358 O\n0.749799 0.250201 0.249358 O\n0.250201 0.749799 0.249358 O\n0.749799 0.749799 0.249358 O\n0.250201 0.250201 0.750642 O\n0.749799 0.250201 0.750642 O\n0.250201 0.749799 0.750642 O\n0.749799 0.749799 0.750642 O\n0.253408 0.000000 0.000000 O\n0.746592 0.000000 0.000000 O\n0.236513 0.500000 0.000000 O\n0.763487 0.500000 0.000000 O\n0.249843 0.000000 0.500000 O\n0.750157 0.000000 0.500000 O\n0.248201 0.500000 0.500000 O\n0.751799 0.500000 0.500000 O\n0.000000 0.253408 0.000000 O\n0.500000 0.236513 0.000000 O\n0.000000 0.746592 0.000000 O\n0.500000 0.763487 0.000000 O\n0.000000 0.249843 0.500000 O\n0.500000 0.248201 0.500000 O\n0.000000 0.750157 0.500000 O\n0.500000 0.751799 0.500000 O\n",
            "nsites": 64,
            "nelements": 4,
            "elements": [
                "Mg",
                "V",
                "Cd",
                "O"
            ],
            "chemical_system": "Cd-Mg-O-V",
            "density": 3.70434718558232,
            "density_atomic": 0.10165435300829348,
            "volume": 629.584450700095,
            "volume_molar": 5.924134660036332,
            "formula_full": "Mg30 V1 Cd1 O32",
            "formula_reduced": "Mg30VCdO32",
            "formula_anonymous": "ABC30D32",
            "energy": -405.55596955,
            "energy_per_atom": -6.33681202421875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -381.87196955,
            "band_gap": 1.7467000000000006,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 3.004524,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:34.281000Z",
            "spacegroup": 123
        }
    ]
}