GET /third-parties/MatprojStructure/?format=api&ordering=-updated_at&page=35
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=-updated_at&page=36",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-updated_at&page=34",
    "results": [
        {
            "id": "mp-864961",
            "created_at": "2022-09-04T14:48:14.826121Z",
            "structure_string": "Be2 Pd1 Pt1\n1.0\n0.000000 2.840496 2.840496\n2.840496 0.000000 2.840496\n2.840496 2.840496 0.000000\nBe Pd Pt\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Be\n0.250000 0.250000 0.250000 Be\n0.500000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Pt\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Be",
                "Pd",
                "Pt"
            ],
            "chemical_system": "Be-Pd-Pt",
            "density": 11.575665578068064,
            "density_atomic": 0.08726647819710057,
            "volume": 45.83661541795668,
            "volume_molar": 6.900863750223034,
            "formula_full": "Be2 Pd1 Pt1",
            "formula_reduced": "Be2PdPt",
            "formula_anonymous": "ABC2",
            "energy": -21.46595324,
            "energy_per_atom": -5.36648831,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -21.46595324,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 5.14e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:39:58.685000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-1095542",
            "created_at": "2022-09-04T14:48:30.450028Z",
            "structure_string": "Rb2 Li4 O6\n1.0\n5.750777 0.000000 0.000000\n0.000000 6.070239 0.000000\n0.000000 2.153891 5.694283\nRb Li O\n2 4 6\ndirect\n0.250000 0.844484 0.278380 Rb\n0.750000 0.155516 0.721620 Rb\n0.993294 0.349227 0.185426 Li\n0.493294 0.650773 0.814574 Li\n0.006706 0.650773 0.814574 Li\n0.506706 0.349227 0.185426 Li\n0.250000 0.429604 0.968560 O\n0.750000 0.570396 0.031440 O\n0.250000 0.868630 0.797906 O\n0.750000 0.131370 0.202094 O\n0.250000 0.333727 0.384488 O\n0.750000 0.666273 0.615512 O\n",
            "nsites": 12,
            "nelements": 3,
            "elements": [
                "Rb",
                "Li",
                "O"
            ],
            "chemical_system": "Li-O-Rb",
            "density": 2.4617954997299734,
            "density_atomic": 0.06036842994882213,
            "volume": 198.7793952927566,
            "volume_molar": 9.975645822005514,
            "formula_full": "Rb2 Li4 O6",
            "formula_reduced": "RbLi2O3",
            "formula_anonymous": "AB2C3",
            "energy": -53.54887888,
            "energy_per_atom": -4.462406573333333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -49.42687887999999,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 5.9999248,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:39:58.651000Z",
            "spacegroup": 11
        },
        {
            "id": "mp-1205541",
            "created_at": "2022-09-04T14:48:30.630667Z",
            "structure_string": "Na1 Sc1 Tl2 F6\n1.0\n0.000000 4.375721 4.375721\n4.375721 0.000000 4.375721\n4.375721 4.375721 0.000000\nNa Sc Tl F\n1 1 2 6\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750000 Tl\n0.766859 0.233141 0.233141 F\n0.233141 0.766859 0.766859 F\n0.233141 0.766859 0.233141 F\n0.766859 0.233141 0.766859 F\n0.233141 0.233141 0.766859 F\n0.766859 0.766859 0.233141 F\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "Na",
                "Sc",
                "Tl",
                "F"
            ],
            "chemical_system": "F-Na-Sc-Tl",
            "density": 5.85381763321985,
            "density_atomic": 0.0596789446775114,
            "volume": 167.5632847403259,
            "volume_molar": 10.090896869142028,
            "formula_full": "Na1 Sc1 Tl2 F6",
            "formula_reduced": "NaScTl2F6",
            "formula_anonymous": "ABC2D6",
            "energy": -55.39351746,
            "energy_per_atom": -5.5393517459999995,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -52.62151746,
            "band_gap": 4.5213,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 4.89e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:39:58.601000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-1200371",
            "created_at": "2022-09-04T14:48:31.360399Z",
            "structure_string": "Ag2 H72 S16 N22 O36\n1.0\n-6.783972 6.783972 8.100722\n6.783972 -6.783972 8.100722\n6.783972 6.783972 -8.100722\nAg H S N O\n2 72 16 22 36\ndirect\n0.750000 0.250000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.223114 0.783698 0.434247 H\n0.400549 0.466302 0.939415 H\n0.349451 0.788866 0.565753 H\n0.526886 0.461134 0.060585 H\n0.211134 0.776886 0.560585 H\n0.533698 0.473114 0.934247 H\n0.216302 0.650549 0.439415 H\n0.538866 0.599451 0.065753 H\n0.976870 0.540419 0.560367 H\n0.769948 0.709581 0.936451 H\n0.980052 0.416503 0.439633 H\n0.773130 0.833497 0.063549 H\n0.583497 0.023130 0.563549 H\n0.290419 0.226870 0.060367 H\n0.459581 0.019948 0.436451 H\n0.166503 0.230052 0.939633 H\n0.987868 0.552657 0.438070 H\n0.635413 0.697343 0.935210 H\n0.114587 0.549797 0.561930 H\n0.762133 0.700203 0.064790 H\n0.450203 0.012133 0.564790 H\n0.302657 0.237868 0.938070 H\n0.447343 0.885413 0.435210 H\n0.299797 0.364587 0.061930 H\n0.817856 0.574653 0.750164 H\n0.925511 0.675347 0.743203 H\n0.824489 0.067692 0.249836 H\n0.932144 0.182308 0.256797 H\n0.932308 0.182144 0.756797 H\n0.324653 0.067856 0.250164 H\n0.425347 0.175511 0.243203 H\n0.817692 0.074489 0.749836 H\n0.957266 0.561338 0.772682 H\n0.961345 0.688662 0.895929 H\n0.788655 0.184584 0.227318 H\n0.792734 0.065416 0.104071 H\n0.815416 0.042734 0.604071 H\n0.311338 0.207266 0.272682 H\n0.438662 0.211345 0.395929 H\n0.934584 0.038655 0.727318 H\n0.994873 0.046772 0.479259 H\n0.182487 0.203228 0.448101 H\n0.567513 0.515613 0.520741 H\n0.755127 0.734387 0.551899 H\n0.484387 0.005127 0.051899 H\n0.796772 0.244873 0.979259 H\n0.953228 0.432487 0.948101 H\n0.265613 0.817513 0.020741 H\n0.923828 0.884817 0.385560 H\n0.250743 0.365183 0.539011 H\n0.499257 0.538268 0.614440 H\n0.826172 0.711732 0.460989 H\n0.461732 0.076172 0.960989 H\n0.634817 0.173828 0.885560 H\n0.115183 0.500743 0.039011 H\n0.288268 0.749257 0.114440 H\n0.079514 0.957186 0.449745 H\n0.242559 0.292814 0.622329 H\n0.507441 0.629769 0.550255 H\n0.670486 0.620231 0.377671 H\n0.370231 0.920486 0.877671 H\n0.707186 0.329514 0.949745 H\n0.042814 0.492559 0.122329 H\n0.379769 0.757441 0.050255 H\n0.031622 0.965990 0.560547 H\n0.344557 0.284010 0.565633 H\n0.405443 0.471076 0.439453 H\n0.718378 0.778924 0.434367 H\n0.528924 0.968378 0.934367 H\n0.715990 0.281622 0.060547 H\n0.034010 0.594557 0.065633 H\n0.221076 0.655443 0.939453 H\n0.971007 0.247011 0.546372 S\n0.049361 0.002989 0.223996 S\n0.700639 0.424635 0.453628 S\n0.778993 0.825365 0.776004 S\n0.575365 0.028993 0.276004 S\n0.997011 0.221007 0.046372 S\n0.752989 0.299361 0.723996 S\n0.174635 0.950639 0.953628 S\n0.099693 0.374178 0.755365 S\n0.131186 0.875822 0.225515 S\n0.618814 0.344329 0.244635 S\n0.650307 0.905671 0.774485 S\n0.655671 0.900307 0.274485 S\n0.124178 0.349693 0.255365 S\n0.625822 0.381186 0.725515 S\n0.094329 0.868814 0.744635 S\n0.250000 0.750000 0.500000 N\n0.500000 0.500000 0.000000 N\n0.014726 0.514726 0.500000 N\n0.735274 0.735274 0.000000 N\n0.485274 0.985274 0.500000 N\n0.264726 0.264726 0.000000 N\n0.914046 0.625000 0.789046 N\n0.835954 0.125000 0.210954 N\n0.875000 0.085954 0.710954 N\n0.375000 0.164046 0.289046 N\n0.007866 0.964068 0.469343 N\n0.255275 0.285932 0.543798 N\n0.494725 0.538523 0.530657 N\n0.742134 0.711477 0.456202 N\n0.461477 0.992134 0.956202 N\n0.714068 0.257866 0.969343 N\n0.035932 0.505275 0.043798 N\n0.288523 0.744725 0.030657 N\n0.378347 0.125000 0.753347 N\n0.371653 0.625000 0.246653 N\n0.375000 0.621653 0.746653 N\n0.875000 0.628347 0.253347 N\n0.415367 0.192928 0.881697 O\n0.438769 0.057072 0.722439 O\n0.311231 0.533670 0.118303 O\n0.334633 0.716330 0.277561 O\n0.466330 0.584633 0.777561 O\n0.942928 0.665367 0.381697 O\n0.807072 0.688769 0.222439 O\n0.283670 0.561231 0.618303 O\n0.286070 0.125000 0.661070 O\n0.463930 0.625000 0.338930 O\n0.375000 0.713930 0.838930 O\n0.875000 0.536070 0.161070 O\n0.088269 0.499663 0.794147 O\n0.044485 0.750337 0.088607 O\n0.705515 0.294122 0.205853 O\n0.661731 0.955878 0.911393 O\n0.705878 0.911731 0.411393 O\n0.249663 0.338269 0.294147 O\n0.500337 0.294485 0.588607 O\n0.044122 0.955515 0.705853 O\n0.230251 0.388563 0.784096 O\n0.145533 0.861437 0.341688 O\n0.604467 0.446155 0.215904 O\n0.519749 0.803845 0.658312 O\n0.553845 0.769749 0.158312 O\n0.138563 0.480251 0.284096 O\n0.611437 0.395533 0.841688 O\n0.196155 0.854467 0.715904 O\n0.068429 0.321962 0.830548 O\n0.258586 0.928038 0.246467 O\n0.491414 0.237881 0.169452 O\n0.681571 0.012119 0.753533 O\n0.762119 0.931571 0.253533 O\n0.071962 0.318429 0.330548 O\n0.678038 0.508586 0.746467 O\n0.987881 0.741414 0.669452 O\n",
            "nsites": 148,
            "nelements": 5,
            "elements": [
                "Ag",
                "H",
                "S",
                "N",
                "O"
            ],
            "chemical_system": "Ag-H-N-O-S",
            "density": 1.876805687549728,
            "density_atomic": 0.09924528934010167,
            "volume": 1491.254657869169,
            "volume_molar": 6.06793612073904,
            "formula_full": "Ag2 H72 S16 N22 O36",
            "formula_reduced": "AgH36S8N11O18",
            "formula_anonymous": "AB8C11D18E36",
            "energy": -798.96429298,
            "energy_per_atom": -5.398407385,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -774.2322929799999,
            "band_gap": 2.354,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0264283,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:39:58.583000Z",
            "spacegroup": 122
        },
        {
            "id": "mp-758184",
            "created_at": "2022-09-04T14:48:19.160197Z",
            "structure_string": "Li4 Fe4 P12 O36\n1.0\n8.496232 0.000000 0.000000\n0.000000 8.620831 0.000000\n0.000000 0.000000 8.978810\nLi Fe P O\n4 4 12 36\ndirect\n0.870008 0.641992 0.335411 Li\n0.629992 0.358008 0.835411 Li\n0.129992 0.141992 0.164589 Li\n0.370008 0.858008 0.664589 Li\n0.652501 0.628612 0.609877 Fe\n0.847499 0.371388 0.109877 Fe\n0.347499 0.128612 0.890123 Fe\n0.152501 0.871388 0.390123 Fe\n0.800386 0.691828 0.932684 P\n0.028691 0.683150 0.681079 P\n0.188551 0.522188 0.191391 P\n0.311449 0.477812 0.691391 P\n0.471309 0.316850 0.181079 P\n0.699614 0.308172 0.432684 P\n0.199614 0.191828 0.567316 P\n0.971309 0.183150 0.818921 P\n0.811449 0.022188 0.308609 P\n0.688551 0.977812 0.808609 P\n0.528691 0.816850 0.318921 P\n0.300386 0.808172 0.067316 P\n0.960752 0.731798 0.841277 O\n0.630495 0.687730 0.378294 O\n0.842152 0.632859 0.084780 O\n0.228430 0.635132 0.051159 O\n0.896934 0.628186 0.581842 O\n0.409526 0.611695 0.635233 O\n0.127175 0.616915 0.319395 O\n0.694051 0.592072 0.838170 O\n0.138956 0.541010 0.733260 O\n0.361044 0.458990 0.233260 O\n0.805949 0.407928 0.338170 O\n0.372825 0.383085 0.819395 O\n0.090474 0.388305 0.135233 O\n0.603066 0.371814 0.081842 O\n0.271570 0.364868 0.551159 O\n0.657848 0.367141 0.584780 O\n0.869505 0.312270 0.878294 O\n0.539248 0.268202 0.341277 O\n0.039248 0.231798 0.658723 O\n0.369505 0.187730 0.121706 O\n0.157848 0.132859 0.415220 O\n0.771570 0.135132 0.448841 O\n0.103066 0.128186 0.918158 O\n0.590474 0.111695 0.864767 O\n0.872825 0.116915 0.180605 O\n0.305949 0.092072 0.661830 O\n0.861044 0.041010 0.766740 O\n0.638956 0.958990 0.266740 O\n0.194051 0.907928 0.161830 O\n0.627175 0.883085 0.680605 O\n0.909526 0.888305 0.364767 O\n0.396934 0.871814 0.418158 O\n0.728430 0.864868 0.948841 O\n0.342152 0.867141 0.915220 O\n0.130495 0.812270 0.621706 O\n0.460752 0.768202 0.158723 O\n",
            "nsites": 56,
            "nelements": 4,
            "elements": [
                "Li",
                "Fe",
                "P",
                "O"
            ],
            "chemical_system": "Fe-Li-O-P",
            "density": 3.0269433206981495,
            "density_atomic": 0.08515178399150856,
            "volume": 657.6491692245037,
            "volume_molar": 7.0722426210125375,
            "formula_full": "Li4 Fe4 P12 O36",
            "formula_reduced": "LiFe(PO3)3",
            "formula_anonymous": "ABC3D9",
            "energy": -427.3574887900001,
            "energy_per_atom": -7.631383728392859,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -393.60148879,
            "band_gap": 4.0098,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 15.9995003,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:39:58.581000Z",
            "spacegroup": 19
        },
        {
            "id": "mp-216",
            "created_at": "2022-09-04T14:48:31.102478Z",
            "structure_string": "Sc16 O24\n1.0\n-4.961171 4.961171 4.961171\n4.961171 -4.961171 4.961171\n4.961171 4.961171 -4.961171\nSc O\n16 24\ndirect\n0.500000 0.000000 0.500000 Sc\n0.500000 0.500000 0.000000 Sc\n0.000000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Sc\n0.785680 0.250000 0.035680 Sc\n0.714320 0.750000 0.464320 Sc\n0.250000 0.035680 0.785680 Sc\n0.750000 0.464320 0.714320 Sc\n0.035680 0.785680 0.250000 Sc\n0.464320 0.714320 0.750000 Sc\n0.214320 0.750000 0.964320 Sc\n0.285680 0.250000 0.535680 Sc\n0.750000 0.964320 0.214320 Sc\n0.250000 0.535680 0.285680 Sc\n0.964320 0.214320 0.750000 Sc\n0.535680 0.285680 0.250000 Sc\n0.489026 0.226452 0.454213 O\n0.227761 0.273548 0.762574 O\n0.010974 0.465187 0.737426 O\n0.272239 0.034813 0.045787 O\n0.226452 0.454213 0.489026 O\n0.273548 0.762574 0.227761 O\n0.465187 0.737426 0.010974 O\n0.034813 0.045787 0.272239 O\n0.454213 0.489026 0.226452 O\n0.762574 0.227761 0.273548 O\n0.737426 0.010974 0.465187 O\n0.045787 0.272239 0.034813 O\n0.510974 0.773548 0.545787 O\n0.772239 0.726452 0.237426 O\n0.989026 0.534813 0.262574 O\n0.727761 0.965187 0.954213 O\n0.773548 0.545787 0.510974 O\n0.726452 0.237426 0.772239 O\n0.534813 0.262574 0.989026 O\n0.965187 0.954213 0.727761 O\n0.545787 0.510974 0.773548 O\n0.237426 0.772239 0.726452 O\n0.262574 0.989026 0.534813 O\n0.954213 0.727761 0.965187 O\n",
            "nsites": 40,
            "nelements": 2,
            "elements": [
                "Sc",
                "O"
            ],
            "chemical_system": "O-Sc",
            "density": 3.7507864458761118,
            "density_atomic": 0.08189311875390551,
            "volume": 488.44152730588723,
            "volume_molar": 7.353659076163591,
            "formula_full": "Sc16 O24",
            "formula_reduced": "Sc2O3",
            "formula_anonymous": "A2B3",
            "energy": -378.81987543,
            "energy_per_atom": -9.47049688575,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -362.33187543,
            "band_gap": 3.8235,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0019308,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:39:58.567000Z",
            "spacegroup": 206
        },
        {
            "id": "mp-1223439",
            "created_at": "2022-09-04T14:48:31.379842Z",
            "structure_string": "K2 P2 O6\n1.0\n3.048998 8.131887 0.000000\n-3.048998 8.131887 0.000000\n0.000000 1.006457 4.069396\nK P O\n2 2 6\ndirect\n0.871468 0.871468 0.312700 K\n0.128532 0.128532 0.687300 K\n0.372317 0.372317 0.713731 P\n0.627683 0.627683 0.286269 P\n0.620927 0.193094 0.795503 O\n0.806906 0.379073 0.204497 O\n0.379073 0.806906 0.204497 O\n0.193094 0.620927 0.795503 O\n0.303526 0.303526 0.531971 O\n0.696474 0.696474 0.468029 O\n",
            "nsites": 10,
            "nelements": 3,
            "elements": [
                "K",
                "P",
                "O"
            ],
            "chemical_system": "K-O-P",
            "density": 1.943171785535104,
            "density_atomic": 0.04955546730893554,
            "volume": 201.794081320203,
            "volume_molar": 12.15232362245149,
            "formula_full": "K2 P2 O6",
            "formula_reduced": "KPO3",
            "formula_anonymous": "ABC3",
            "energy": -67.17871758999999,
            "energy_per_atom": -6.717871758999999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -63.05671759,
            "band_gap": 3.3136,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0007677,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:39:58.512000Z",
            "spacegroup": 12
        },
        {
            "id": "mp-1032002",
            "created_at": "2022-09-04T14:48:16.229086Z",
            "structure_string": "Mg6 Zn1 Si1 O8\n1.0\n8.622558 -0.000000 0.000000\n-0.000000 4.331740 0.000000\n0.000000 0.000000 4.331740\nMg Zn Si O\n6 1 1 8\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.246920 -0.000000 0.500000 Mg\n0.753080 0.000000 0.500000 Mg\n0.246920 0.500000 0.000000 Mg\n0.753080 0.500000 -0.000000 Mg\n0.000000 0.000000 -0.000000 Zn\n0.500000 0.000000 -0.000000 Si\n0.242863 0.000000 -0.000000 O\n0.757137 -0.000000 0.000000 O\n0.250643 0.500000 0.500000 O\n0.749357 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 -0.000000 O\n0.500000 0.500000 -0.000000 O\n",
            "nsites": 16,
            "nelements": 4,
            "elements": [
                "Mg",
                "Zn",
                "Si",
                "O"
            ],
            "chemical_system": "Mg-O-Si-Zn",
            "density": 3.769922576274925,
            "density_atomic": 0.0988915298209167,
            "volume": 161.7934319448238,
            "volume_molar": 6.0896426325950594,
            "formula_full": "Mg6 Zn1 Si1 O8",
            "formula_reduced": "Mg6ZnSiO8",
            "formula_anonymous": "ABC6D8",
            "energy": -96.8335951,
            "energy_per_atom": -6.05209969375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -91.3375951,
            "band_gap": 5.251099999999999,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:39:58.490000Z",
            "spacegroup": 123
        },
        {
            "id": "mp-1247471",
            "created_at": "2022-09-04T14:48:31.565562Z",
            "structure_string": "Fe2 Re6 N12\n1.0\n4.796711 0.000000 -0.200853\n0.000000 5.290984 0.000000\n-0.333658 0.000000 7.606994\nFe Re N\n2 6 12\ndirect\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.463787 0.583239 0.261805 Re\n0.963787 0.916761 0.761805 Re\n0.536213 0.416761 0.738195 Re\n0.036213 0.083239 0.238195 Re\n0.000000 0.500000 0.500000 Re\n0.500000 0.000000 0.000000 Re\n0.168409 0.820439 0.412072 N\n0.668409 0.679561 0.912072 N\n0.831591 0.179561 0.587928 N\n0.331591 0.320439 0.087928 N\n0.168890 0.802818 0.087681 N\n0.668890 0.697182 0.587681 N\n0.831110 0.197182 0.912319 N\n0.331110 0.302818 0.412319 N\n0.833838 0.430183 0.240791 N\n0.333838 0.069817 0.740791 N\n0.166162 0.569817 0.759209 N\n0.666162 0.930183 0.259209 N\n",
            "nsites": 20,
            "nelements": 3,
            "elements": [
                "Fe",
                "Re",
                "N"
            ],
            "chemical_system": "Fe-N-Re",
            "density": 12.03800883858517,
            "density_atomic": 0.10378516857994474,
            "volume": 192.7057620433905,
            "volume_molar": 5.802506121441815,
            "formula_full": "Fe2 Re6 N12",
            "formula_reduced": "Fe(ReN2)3",
            "formula_anonymous": "AB3C6",
            "energy": -189.21041168,
            "energy_per_atom": -9.460520584,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -184.87841168,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 2.1023346,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:39:58.480000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1183787",
            "created_at": "2022-09-04T14:48:31.717792Z",
            "structure_string": "Ce1 Er3\n1.0\n-2.496219 2.496219 4.970452\n2.496219 -2.496219 4.970452\n2.496219 2.496219 -4.970452\nCe Er\n1 3\ndirect\n0.000000 0.000000 0.000000 Ce\n0.750000 0.250000 0.500000 Er\n0.250000 0.750000 0.500000 Er\n0.500000 0.500000 0.000000 Er\n",
            "nsites": 4,
            "nelements": 2,
            "elements": [
                "Ce",
                "Er"
            ],
            "chemical_system": "Ce-Er",
            "density": 8.603803688577909,
            "density_atomic": 0.032287821740962404,
            "volume": 123.88571864931177,
            "volume_molar": 18.651430896497814,
            "formula_full": "Ce1 Er3",
            "formula_reduced": "CeEr3",
            "formula_anonymous": "AB3",
            "energy": -19.30719623,
            "energy_per_atom": -4.8267990575,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -19.30719623,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.7623827,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:39:58.472000Z",
            "spacegroup": 139
        },
        {
            "id": "mp-654374",
            "created_at": "2022-09-04T14:48:31.189436Z",
            "structure_string": "Ba2 Y1 Tl1 Cu2 O7\n1.0\n3.878228 0.000000 0.000000\n0.000000 3.878228 0.000000\n0.000000 0.000000 12.810361\nBa Y Tl Cu O\n2 1 1 2 7\ndirect\n0.500000 0.500000 0.206826 Ba\n0.500000 0.500000 0.793174 Ba\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Tl\n0.000000 0.000000 0.374825 Cu\n0.000000 0.000000 0.625175 Cu\n0.000000 0.000000 0.164615 O\n0.000000 0.500000 0.387644 O\n0.500000 0.000000 0.387644 O\n0.500000 0.000000 0.612356 O\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.612356 O\n0.000000 0.000000 0.835385 O\n",
            "nsites": 13,
            "nelements": 5,
            "elements": [
                "Ba",
                "Y",
                "Tl",
                "Cu",
                "O"
            ],
            "chemical_system": "Ba-Cu-O-Tl-Y",
            "density": 6.955225967854238,
            "density_atomic": 0.06747071441764431,
            "volume": 192.67618717551866,
            "volume_molar": 8.925562463623695,
            "formula_full": "Ba2 Y1 Tl1 Cu2 O7",
            "formula_reduced": "Ba2YTlCu2O7",
            "formula_anonymous": "ABC2D2E7",
            "energy": -84.3112295,
            "energy_per_atom": -6.485479192307692,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -79.5022295,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.2426102,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:39:58.416000Z",
            "spacegroup": 123
        },
        {
            "id": "mp-1013726",
            "created_at": "2022-09-04T14:48:15.708939Z",
            "structure_string": "Cd8 S2 F12\n1.0\n8.005215 0.000000 0.000000\n0.000000 8.005215 0.000000\n0.000000 0.000000 5.611370\nCd S F\n8 2 12\ndirect\n0.500000 0.763666 0.233270 Cd\n0.500000 0.236334 0.233270 Cd\n0.263666 0.000000 0.733270 Cd\n0.736334 0.000000 0.733270 Cd\n0.000000 0.736334 0.266730 Cd\n0.000000 0.263666 0.266730 Cd\n0.236334 0.500000 0.766730 Cd\n0.763666 0.500000 0.766730 Cd\n0.000000 0.000000 0.500000 S\n0.500000 0.500000 0.000000 S\n0.286186 0.286186 0.500000 F\n0.286186 0.713814 0.500000 F\n0.713814 0.286186 0.500000 F\n0.713814 0.713814 0.500000 F\n0.786186 0.786186 0.000000 F\n0.786186 0.213814 0.000000 F\n0.213814 0.786186 0.000000 F\n0.213814 0.213814 0.000000 F\n0.500000 0.000000 0.971805 F\n0.500000 0.000000 0.471805 F\n0.000000 0.500000 0.528195 F\n0.000000 0.500000 0.028195 F\n",
            "nsites": 22,
            "nelements": 3,
            "elements": [
                "Cd",
                "S",
                "F"
            ],
            "chemical_system": "Cd-F-S",
            "density": 5.501629789336784,
            "density_atomic": 0.061179760696112695,
            "volume": 359.5960453208811,
            "volume_molar": 9.843354553007662,
            "formula_full": "Cd8 S2 F12",
            "formula_reduced": "Cd4SF6",
            "formula_anonymous": "AB4C6",
            "energy": -86.59614402,
            "energy_per_atom": -3.9361883645454543,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -80.04614402,
            "band_gap": 1.8553,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0001942,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:39:58.400000Z",
            "spacegroup": 137
        }
    ]
}