GET /third-parties/MatprojStructure/?format=api&ordering=id&page=157
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=id&page=158",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=id&page=156",
    "results": [
        {
            "id": "mp-10194",
            "created_at": "2022-09-04T14:44:26.791122Z",
            "structure_string": "Lu1 Sb1 Pt1\n1.0\n0.000000 3.267263 3.267263\n3.267263 0.000000 3.267263\n3.267263 3.267263 0.000000\nLu Sb Pt\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Lu\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 Pt\n",
            "nsites": 3,
            "nelements": 3,
            "elements": [
                "Lu",
                "Sb",
                "Pt"
            ],
            "chemical_system": "Lu-Pt-Sb",
            "density": 11.707523979031421,
            "density_atomic": 0.04300698279044224,
            "volume": 69.75611413192911,
            "volume_molar": 14.002704605770075,
            "formula_full": "Lu1 Sb1 Pt1",
            "formula_reduced": "LuSbPt",
            "formula_anonymous": "ABC",
            "energy": -18.52598034,
            "energy_per_atom": -6.17532678,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -18.33398034,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:34.715000Z",
            "spacegroup": 216
        },
        {
            "id": "mp-10195",
            "created_at": "2022-09-04T14:44:06.779750Z",
            "structure_string": "Lu2 S4\n1.0\n0.000000 3.870366 3.870366\n3.870366 0.000000 3.870366\n3.870366 3.870366 0.000000\nLu S\n2 4\ndirect\n0.250000 0.250000 0.250000 Lu\n0.000000 0.000000 0.000000 Lu\n0.625000 0.625000 0.125000 S\n0.625000 0.125000 0.625000 S\n0.625000 0.625000 0.625000 S\n0.125000 0.625000 0.625000 S\n",
            "nsites": 6,
            "nelements": 2,
            "elements": [
                "Lu",
                "S"
            ],
            "chemical_system": "Lu-S",
            "density": 6.848053061403785,
            "density_atomic": 0.05174461346061326,
            "volume": 115.9540983829564,
            "volume_molar": 11.638198369350865,
            "formula_full": "Lu2 S4",
            "formula_reduced": "LuS2",
            "formula_anonymous": "AB2",
            "energy": -27.17560045,
            "energy_per_atom": -4.5292667416666665,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -25.163600450000004,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.1453463,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:28.664000Z",
            "spacegroup": 227
        },
        {
            "id": "mp-1019508",
            "created_at": "2022-09-04T14:46:55.880604Z",
            "structure_string": "Al1 Ga3 N4\n1.0\n4.506955 0.000000 0.000000\n0.000000 4.506955 0.000000\n0.000000 0.000000 4.506955\nAl Ga N\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 Ga\n0.500000 0.000000 0.500000 Ga\n0.000000 0.500000 0.500000 Ga\n0.755560 0.755560 0.244440 N\n0.755560 0.244440 0.755560 N\n0.244440 0.755560 0.755560 N\n0.244440 0.244440 0.244440 N\n",
            "nsites": 8,
            "nelements": 3,
            "elements": [
                "Al",
                "Ga",
                "N"
            ],
            "chemical_system": "Al-Ga-N",
            "density": 5.2996350139376815,
            "density_atomic": 0.0873856903331694,
            "volume": 91.54816960876491,
            "volume_molar": 6.891449546304205,
            "formula_full": "Al1 Ga3 N4",
            "formula_reduced": "AlGa3N4",
            "formula_anonymous": "AB3C4",
            "energy": -53.19501671,
            "energy_per_atom": -6.64937708875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -51.75101671,
            "band_gap": 2.1808,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0003396,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:51.332000Z",
            "spacegroup": 215
        },
        {
            "id": "mp-1019509",
            "created_at": "2022-09-04T14:43:44.681962Z",
            "structure_string": "B2 S2 O9\n1.0\n2.134152 3.934906 0.000000\n-2.134152 3.934906 0.000000\n0.000000 0.632706 8.842579\nB S O\n2 2 9\ndirect\n0.824519 0.179346 0.142594 B\n0.820654 0.175481 0.857406 B\n0.491553 0.844619 0.264161 S\n0.155381 0.508447 0.735839 S\n0.626893 0.709721 0.409727 O\n0.290279 0.373107 0.590273 O\n0.506554 0.161553 0.203062 O\n0.838447 0.493446 0.796938 O\n0.683846 0.573033 0.139388 O\n0.426967 0.316154 0.860612 O\n0.096852 0.983584 0.263467 O\n0.016416 0.903148 0.736533 O\n0.954860 0.045140 0.000000 O\n",
            "nsites": 13,
            "nelements": 3,
            "elements": [
                "B",
                "S",
                "O"
            ],
            "chemical_system": "B-O-S",
            "density": 2.568795527668781,
            "density_atomic": 0.08753358149201602,
            "volume": 148.51443044388324,
            "volume_molar": 6.879806192494571,
            "formula_full": "B2 S2 O9",
            "formula_reduced": "B2S2O9",
            "formula_anonymous": "A2B2C9",
            "energy": -93.31970945,
            "energy_per_atom": -7.178439188461539,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -87.13670945,
            "band_gap": 6.6956,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0009293,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:13.245000Z",
            "spacegroup": 5
        },
        {
            "id": "mp-1019510",
            "created_at": "2022-09-04T14:39:18.985019Z",
            "structure_string": "Al16 P16 O64\n1.0\n-4.316855 7.528425 14.142866\n4.316855 -7.528425 14.142866\n4.316855 7.528425 -14.142866\nAl P O\n16 16 64\ndirect\n0.129564 0.382042 0.067138 Al\n0.870436 0.937574 0.252478 Al\n0.314904 0.882042 0.752478 Al\n0.685096 0.437574 0.567138 Al\n0.224566 0.984227 0.555375 Al\n0.775434 0.330809 0.759661 Al\n0.428852 0.484227 0.259661 Al\n0.571148 0.830809 0.055375 Al\n0.040100 0.100410 0.249707 Al\n0.959900 0.209606 0.060310 Al\n0.850703 0.600410 0.560310 Al\n0.149297 0.709606 0.749707 Al\n0.639715 0.018375 0.932957 Al\n0.360285 0.293242 0.378660 Al\n0.085418 0.518375 0.878660 Al\n0.914582 0.793242 0.432957 Al\n0.121580 0.753990 0.433555 P\n0.878420 0.311975 0.632410 P\n0.320435 0.253990 0.132410 P\n0.679565 0.811975 0.933555 P\n0.232687 0.360277 0.935840 P\n0.767313 0.703153 0.127590 P\n0.424437 0.860277 0.627590 P\n0.575563 0.203153 0.435840 P\n0.078490 0.890163 0.246418 P\n0.921510 0.167929 0.811673 P\n0.643744 0.390163 0.311673 P\n0.356256 0.667929 0.746418 P\n0.845336 0.980037 0.932227 P\n0.154664 0.086891 0.134701 P\n0.047810 0.480037 0.634701 P\n0.952190 0.586891 0.432227 P\n0.142247 0.885701 0.494417 O\n0.857753 0.352170 0.743453 O\n0.391283 0.385701 0.243453 O\n0.608717 0.852170 0.994417 O\n0.190064 0.798158 0.585672 O\n0.809936 0.395608 0.608094 O\n0.212486 0.298158 0.108094 O\n0.787514 0.895608 0.085672 O\n0.011507 0.739540 0.382776 O\n0.988493 0.371269 0.728033 O\n0.356764 0.239540 0.228033 O\n0.643236 0.871269 0.882776 O\n0.142220 0.591401 0.269817 O\n0.857780 0.127596 0.449181 O\n0.321585 0.091401 0.949181 O\n0.678415 0.627596 0.769817 O\n0.161044 0.346831 0.955099 O\n0.838956 0.794055 0.185787 O\n0.391732 0.846831 0.685787 O\n0.608268 0.294055 0.455099 O\n0.197659 0.475016 0.951029 O\n0.802341 0.753370 0.277356 O\n0.523986 0.975016 0.777356 O\n0.476014 0.253370 0.451029 O\n0.231942 0.192375 0.752827 O\n0.768058 0.520885 0.960433 O\n0.439548 0.692375 0.460433 O\n0.560452 0.020885 0.252827 O\n0.344526 0.927108 0.586729 O\n0.655474 0.242203 0.582581 O\n0.340378 0.427108 0.082581 O\n0.659622 0.742203 0.086729 O\n0.178882 0.932867 0.387292 O\n0.821118 0.208410 0.753984 O\n0.545574 0.432867 0.253984 O\n0.454426 0.708410 0.887292 O\n0.992760 0.933594 0.287249 O\n0.007240 0.294488 0.940834 O\n0.646346 0.433594 0.440834 O\n0.353654 0.794488 0.787249 O\n0.060569 0.708561 0.059801 O\n0.939431 0.999231 0.647992 O\n0.648761 0.208561 0.147992 O\n0.351239 0.499231 0.559801 O\n0.083099 0.986769 0.253981 O\n0.916901 0.170883 0.903670 O\n0.732787 0.486769 0.403670 O\n0.267213 0.670883 0.753981 O\n0.915133 0.024895 0.084962 O\n0.084867 0.169829 0.109762 O\n0.939933 0.524895 0.609762 O\n0.060067 0.669829 0.584962 O\n0.881963 0.083182 0.969547 O\n0.118037 0.087584 0.201219 O\n0.113635 0.583182 0.701219 O\n0.886365 0.587584 0.469547 O\n0.738376 0.011782 0.917182 O\n0.261624 0.178805 0.273405 O\n0.094600 0.511782 0.773405 O\n0.905400 0.678805 0.417182 O\n0.844441 0.800612 0.756362 O\n0.155559 0.911921 0.956171 O\n0.044250 0.300612 0.456171 O\n0.955750 0.411921 0.256362 O\n",
            "nsites": 96,
            "nelements": 3,
            "elements": [
                "Al",
                "P",
                "O"
            ],
            "chemical_system": "Al-O-P",
            "density": 1.7623501792778362,
            "density_atomic": 0.05221583479920953,
            "volume": 1838.5227463882911,
            "volume_molar": 11.533169551262574,
            "formula_full": "Al16 P16 O64",
            "formula_reduced": "AlPO4",
            "formula_anonymous": "ABC4",
            "energy": -761.80281553,
            "energy_per_atom": -7.935445995104167,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -717.83481553,
            "band_gap": 5.4926,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.000211,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:37.109000Z",
            "spacegroup": 45
        },
        {
            "id": "mp-1019511",
            "created_at": "2022-09-04T14:44:21.248956Z",
            "structure_string": "Al8 P8 O32\n1.0\n8.856978 0.000000 0.000000\n2.313138 8.578973 0.000000\n4.132371 3.426238 11.739206\nAl P O\n8 8 32\ndirect\n0.302125 0.582855 0.630837 Al\n0.697875 0.417145 0.369163 Al\n0.680949 0.385433 0.814534 Al\n0.319051 0.614567 0.185466 Al\n0.021809 0.737397 0.941673 Al\n0.978191 0.262603 0.058327 Al\n0.486462 0.026812 0.175863 Al\n0.513538 0.973188 0.824137 Al\n0.603536 0.326581 0.187342 P\n0.396464 0.673419 0.812658 P\n0.600787 0.291336 0.628374 P\n0.399213 0.708664 0.371626 P\n0.740492 0.007537 0.955966 P\n0.259508 0.992463 0.044034 P\n0.981376 0.513455 0.819333 P\n0.018624 0.486545 0.180667 P\n0.703833 0.294013 0.506888 O\n0.296167 0.705987 0.493112 O\n0.571958 0.117055 0.694084 O\n0.428042 0.882945 0.305916 O\n0.113808 0.527238 0.707302 O\n0.886192 0.472762 0.292698 O\n0.692698 0.351278 0.685794 O\n0.307302 0.648722 0.314206 O\n0.502275 0.198659 0.206226 O\n0.497725 0.801341 0.793774 O\n0.510582 0.498145 0.141811 O\n0.489418 0.501855 0.858189 O\n0.435741 0.400885 0.624271 O\n0.564259 0.599115 0.375729 O\n0.635114 0.310931 0.301621 O\n0.364886 0.689069 0.698379 O\n0.948926 0.668484 0.857018 O\n0.051074 0.331516 0.142982 O\n0.765812 0.298756 0.099555 O\n0.234188 0.701244 0.900445 O\n0.827360 0.495510 0.798035 O\n0.172640 0.504490 0.201965 O\n0.658417 0.934124 0.900234 O\n0.341583 0.065876 0.099766 O\n0.923424 0.940459 0.927529 O\n0.076576 0.059541 0.072471 O\n0.711897 0.194135 0.911810 O\n0.288103 0.805865 0.088190 O\n0.671333 0.958320 0.086688 O\n0.328667 0.041680 0.913312 O\n0.036399 0.365651 0.912783 O\n0.963601 0.634349 0.087217 O\n",
            "nsites": 48,
            "nelements": 3,
            "elements": [
                "Al",
                "P",
                "O"
            ],
            "chemical_system": "Al-O-P",
            "density": 1.8162332751705723,
            "density_atomic": 0.05381231140566806,
            "volume": 891.9891888335454,
            "volume_molar": 11.19100927407048,
            "formula_full": "Al8 P8 O32",
            "formula_reduced": "AlPO4",
            "formula_anonymous": "ABC4",
            "energy": -380.20303702,
            "energy_per_atom": -7.9208966045833336,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -358.21903702,
            "band_gap": 5.3988,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0009112,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:38.390000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1019512",
            "created_at": "2022-09-04T14:43:17.508902Z",
            "structure_string": "Al12 P12 O48\n1.0\n14.504397 0.000000 0.000000\n0.000000 6.196735 0.000000\n0.000000 2.190304 8.405405\nAl P O\n12 12 48\ndirect\n0.092711 0.204411 0.119953 Al\n0.592711 0.795589 0.380047 Al\n0.907289 0.795589 0.880047 Al\n0.407289 0.204411 0.619953 Al\n0.198503 0.843614 0.350446 Al\n0.698503 0.156386 0.149554 Al\n0.801497 0.156386 0.649554 Al\n0.301497 0.843614 0.850446 Al\n0.602859 0.547016 0.935761 Al\n0.102859 0.452984 0.564239 Al\n0.397141 0.452984 0.064239 Al\n0.897141 0.547016 0.435761 Al\n0.747805 0.680566 0.640665 P\n0.247805 0.319434 0.859335 P\n0.252195 0.319434 0.359335 P\n0.752195 0.680566 0.140665 P\n0.547065 0.333246 0.325093 P\n0.047065 0.666754 0.174907 P\n0.452935 0.666754 0.674907 P\n0.952935 0.333246 0.825093 P\n0.603164 0.086503 0.829211 P\n0.103164 0.913497 0.670789 P\n0.396836 0.913497 0.170789 P\n0.896836 0.086503 0.329211 P\n0.683622 0.572917 0.773463 O\n0.183622 0.427083 0.726537 O\n0.316378 0.427083 0.226537 O\n0.816378 0.572917 0.273463 O\n0.818450 0.844004 0.691512 O\n0.318450 0.155996 0.808488 O\n0.181550 0.155996 0.308488 O\n0.681550 0.844004 0.191512 O\n0.805165 0.483540 0.597541 O\n0.305165 0.516460 0.902459 O\n0.194835 0.516460 0.402459 O\n0.694835 0.483540 0.097541 O\n0.701908 0.814852 0.490787 O\n0.201908 0.185148 0.009213 O\n0.298092 0.185148 0.509213 O\n0.798092 0.814852 0.990787 O\n0.514783 0.451053 0.149292 O\n0.014783 0.548947 0.350708 O\n0.485217 0.548947 0.850708 O\n0.985217 0.451053 0.649292 O\n0.467886 0.226763 0.429362 O\n0.967886 0.773237 0.070638 O\n0.532114 0.773237 0.570638 O\n0.032114 0.226763 0.929362 O\n0.603231 0.494796 0.392894 O\n0.103231 0.505204 0.107106 O\n0.396769 0.505204 0.607106 O\n0.896769 0.494796 0.892894 O\n0.612020 0.134451 0.306336 O\n0.112020 0.865549 0.193664 O\n0.387980 0.865549 0.693664 O\n0.887980 0.134451 0.806336 O\n0.624071 0.218780 0.964691 O\n0.124071 0.781220 0.535309 O\n0.375929 0.781220 0.035309 O\n0.875929 0.218780 0.464691 O\n0.684932 0.134956 0.711972 O\n0.184932 0.865044 0.788028 O\n0.315068 0.865044 0.288028 O\n0.815068 0.134956 0.211972 O\n0.596099 0.843402 0.919379 O\n0.096099 0.156598 0.580621 O\n0.403901 0.156598 0.080621 O\n0.903901 0.843402 0.419379 O\n0.514281 0.172646 0.743914 O\n0.014281 0.827354 0.756086 O\n0.485719 0.827354 0.256086 O\n0.985719 0.172646 0.243914 O\n",
            "nsites": 72,
            "nelements": 3,
            "elements": [
                "Al",
                "P",
                "O"
            ],
            "chemical_system": "Al-O-P",
            "density": 3.216630912426728,
            "density_atomic": 0.09530402658235022,
            "volume": 755.4769990519372,
            "volume_molar": 6.3188733739349345,
            "formula_full": "Al12 P12 O48",
            "formula_reduced": "AlPO4",
            "formula_anonymous": "ABC4",
            "energy": -565.98455931,
            "energy_per_atom": -7.860896657083334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -533.00855931,
            "band_gap": 5.2868,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0046225,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:11.066000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1019513",
            "created_at": "2022-09-04T14:39:07.214092Z",
            "structure_string": "Al6 P6 O24\n1.0\n4.947163 0.000000 0.000000\n0.000000 8.889131 0.000000\n0.000000 0.032176 11.021192\nAl P O\n6 6 24\ndirect\n0.465104 0.750000 0.500000 Al\n0.534896 0.250000 0.500000 Al\n0.750136 0.513116 0.834047 Al\n0.750136 0.986884 0.165953 Al\n0.249864 0.486884 0.165953 Al\n0.249864 0.013116 0.834047 Al\n0.032822 0.750000 0.000000 P\n0.967178 0.250000 0.000000 P\n0.755000 0.513166 0.333199 P\n0.755000 0.986834 0.666801 P\n0.245000 0.486834 0.666801 P\n0.245000 0.013166 0.333199 P\n0.052088 0.527831 0.294188 O\n0.052088 0.972169 0.705812 O\n0.947912 0.472169 0.705812 O\n0.947912 0.027831 0.294188 O\n0.583373 0.476249 0.219739 O\n0.583373 0.023751 0.780261 O\n0.416627 0.523751 0.780261 O\n0.416627 0.976249 0.219739 O\n0.850715 0.683093 0.900303 O\n0.850715 0.816907 0.099697 O\n0.149285 0.316907 0.099697 O\n0.149285 0.183093 0.900303 O\n0.665738 0.663643 0.388842 O\n0.665738 0.836357 0.611158 O\n0.334262 0.336357 0.611158 O\n0.334262 0.163643 0.388842 O\n0.783649 0.371592 0.944204 O\n0.783649 0.128408 0.055796 O\n0.216351 0.628408 0.055796 O\n0.216351 0.871592 0.944204 O\n0.733433 0.386177 0.427700 O\n0.733433 0.113823 0.572300 O\n0.266567 0.613823 0.572300 O\n0.266567 0.886177 0.427700 O\n",
            "nsites": 36,
            "nelements": 3,
            "elements": [
                "Al",
                "P",
                "O"
            ],
            "chemical_system": "Al-O-P",
            "density": 2.5069656740919326,
            "density_atomic": 0.07427769294937396,
            "volume": 484.6677188067326,
            "volume_molar": 8.107603401339563,
            "formula_full": "Al6 P6 O24",
            "formula_reduced": "AlPO4",
            "formula_anonymous": "ABC4",
            "energy": -285.60699081,
            "energy_per_atom": -7.9335275225,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -269.11899081,
            "band_gap": 5.6414,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:42.298000Z",
            "spacegroup": 13
        },
        {
            "id": "mp-1019514",
            "created_at": "2022-09-04T14:47:14.328793Z",
            "structure_string": "Al6 P6 O24\n1.0\n6.199832 0.000000 0.000000\n-1.613149 7.428184 0.000000\n-2.175432 -1.767842 8.233638\nAl P O\n6 6 24\ndirect\n0.238106 0.311615 0.580808 Al\n0.761894 0.688385 0.419192 Al\n0.531725 0.105207 0.789881 Al\n0.468275 0.894793 0.210119 Al\n0.015725 0.701049 0.977908 Al\n0.984275 0.298951 0.022092 Al\n0.990935 0.992782 0.740126 P\n0.009065 0.007218 0.259874 P\n0.800540 0.403652 0.656908 P\n0.199460 0.596348 0.343092 P\n0.477952 0.699310 0.869603 P\n0.522048 0.300690 0.130397 P\n0.053606 0.859688 0.845158 O\n0.946394 0.140312 0.154842 O\n0.224324 0.121167 0.732711 O\n0.775676 0.878833 0.267289 O\n0.863616 0.119735 0.826654 O\n0.136384 0.880265 0.173346 O\n0.828690 0.905100 0.573219 O\n0.171310 0.094900 0.426781 O\n0.937345 0.470005 0.844782 O\n0.062655 0.529995 0.155218 O\n0.738697 0.560991 0.583317 O\n0.261303 0.439009 0.416683 O\n0.934272 0.300579 0.569258 O\n0.065728 0.699421 0.430742 O\n0.561361 0.266063 0.649636 O\n0.438639 0.733937 0.350364 O\n0.644930 0.268640 0.989085 O\n0.355070 0.731360 0.010915 O\n0.479028 0.866701 0.788490 O\n0.520972 0.133299 0.211510 O\n0.719035 0.695515 0.961126 O\n0.280965 0.304485 0.038874 O\n0.344254 0.521531 0.749368 O\n0.655746 0.478469 0.250632 O\n",
            "nsites": 36,
            "nelements": 3,
            "elements": [
                "Al",
                "P",
                "O"
            ],
            "chemical_system": "Al-O-P",
            "density": 3.204336663784063,
            "density_atomic": 0.09493976613987173,
            "volume": 379.1877888867174,
            "volume_molar": 6.343117330969378,
            "formula_full": "Al6 P6 O24",
            "formula_reduced": "AlPO4",
            "formula_anonymous": "ABC4",
            "energy": -283.05446189,
            "energy_per_atom": -7.86262394138889,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -266.56646189,
            "band_gap": 5.477899999999999,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0003754,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:04.239000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1019515",
            "created_at": "2022-09-04T14:40:28.432280Z",
            "structure_string": "Ba12 Ga12 N20\n1.0\n4.207369 8.495823 0.000000\n-4.207369 8.495823 0.000000\n0.000000 4.001515 11.083035\nBa Ga N\n12 12 20\ndirect\n0.654727 0.345273 0.250000 Ba\n0.345273 0.654727 0.750000 Ba\n0.161594 0.838406 0.250000 Ba\n0.838406 0.161594 0.750000 Ba\n0.098795 0.278919 0.115377 Ba\n0.721081 0.901205 0.384623 Ba\n0.901205 0.721081 0.884623 Ba\n0.278919 0.098795 0.615377 Ba\n0.581203 0.830056 0.163065 Ba\n0.169944 0.418797 0.336935 Ba\n0.418797 0.169944 0.836935 Ba\n0.830056 0.581203 0.663065 Ba\n0.855585 0.984909 0.057053 Ga\n0.015091 0.144415 0.442947 Ga\n0.144415 0.015091 0.942947 Ga\n0.984909 0.855585 0.557053 Ga\n0.842633 0.352761 0.950454 Ga\n0.647239 0.157367 0.549546 Ga\n0.157367 0.647239 0.049546 Ga\n0.352761 0.842633 0.450454 Ga\n0.488651 0.352659 0.998182 Ga\n0.647341 0.511349 0.501818 Ga\n0.511349 0.647341 0.001818 Ga\n0.352659 0.488651 0.498182 Ga\n0.619198 0.471347 0.882606 N\n0.528653 0.380802 0.617394 N\n0.380802 0.528653 0.117394 N\n0.471347 0.619198 0.382606 N\n0.928858 0.131182 0.079286 N\n0.868818 0.071142 0.420714 N\n0.071142 0.868818 0.920714 N\n0.131182 0.928858 0.579286 N\n0.065022 0.249340 0.826189 N\n0.750660 0.934978 0.673811 N\n0.934978 0.750660 0.173811 N\n0.249340 0.065022 0.326189 N\n0.754743 0.547844 0.039682 N\n0.452156 0.245257 0.460318 N\n0.245257 0.452156 0.960318 N\n0.547844 0.754743 0.539682 N\n0.631783 0.094462 0.002207 N\n0.905538 0.368217 0.497793 N\n0.368217 0.905538 0.997793 N\n0.094462 0.631783 0.502207 N\n",
            "nsites": 44,
            "nelements": 3,
            "elements": [
                "Ba",
                "Ga",
                "N"
            ],
            "chemical_system": "Ba-Ga-N",
            "density": 5.794256170050904,
            "density_atomic": 0.05553258851573274,
            "volume": 792.3275535325445,
            "volume_molar": 10.84433648954413,
            "formula_full": "Ba12 Ga12 N20",
            "formula_reduced": "Ba3Ga3N5",
            "formula_anonymous": "A3B3C5",
            "energy": -254.66769793,
            "energy_per_atom": -5.787902225681818,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -247.44769793,
            "band_gap": 1.7785000000000006,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0015193,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:58.625000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-1019516",
            "created_at": "2022-09-04T14:39:06.568749Z",
            "structure_string": "Ba32 Ga8 N24 O8\n1.0\n7.987433 0.000000 0.000000\n0.000000 8.025366 0.000000\n0.000000 0.000000 25.011590\nBa Ga N O\n32 8 24 8\ndirect\n0.165991 0.857439 0.436821 Ba\n0.834009 0.357439 0.063179 Ba\n0.334009 0.142561 0.936821 Ba\n0.665991 0.642561 0.563179 Ba\n0.834009 0.142561 0.563179 Ba\n0.165991 0.642561 0.936821 Ba\n0.665991 0.857439 0.063179 Ba\n0.334009 0.357439 0.436821 Ba\n0.357449 0.518938 0.061206 Ba\n0.642551 0.018938 0.438794 Ba\n0.142551 0.481062 0.561206 Ba\n0.857449 0.981062 0.938794 Ba\n0.642551 0.481062 0.938794 Ba\n0.357449 0.981062 0.561206 Ba\n0.857449 0.518938 0.438794 Ba\n0.142551 0.018938 0.061206 Ba\n0.263359 0.953141 0.266457 Ba\n0.736641 0.453141 0.233543 Ba\n0.236641 0.046859 0.766457 Ba\n0.763359 0.546859 0.733543 Ba\n0.736641 0.046859 0.733543 Ba\n0.263359 0.546859 0.766457 Ba\n0.763359 0.953141 0.233543 Ba\n0.236641 0.453141 0.266457 Ba\n0.040533 0.691156 0.149727 Ba\n0.959467 0.191156 0.350273 Ba\n0.459467 0.308844 0.649727 Ba\n0.540533 0.808844 0.850273 Ba\n0.959467 0.308844 0.850273 Ba\n0.040533 0.808844 0.649727 Ba\n0.540533 0.691156 0.350273 Ba\n0.459467 0.191156 0.149727 Ba\n0.484376 0.706300 0.171455 Ga\n0.515624 0.206300 0.328545 Ga\n0.015624 0.293700 0.671455 Ga\n0.984376 0.793700 0.828545 Ga\n0.515624 0.293700 0.828545 Ga\n0.484376 0.793700 0.671455 Ga\n0.984376 0.706300 0.328545 Ga\n0.015624 0.206300 0.171455 Ga\n0.138824 0.574450 0.372332 N\n0.861176 0.074450 0.127668 N\n0.361176 0.425550 0.872332 N\n0.638824 0.925550 0.627668 N\n0.861176 0.425550 0.627668 N\n0.138824 0.925550 0.872332 N\n0.638824 0.574450 0.127668 N\n0.361176 0.074450 0.372332 N\n0.348850 0.860983 0.131949 N\n0.651150 0.360983 0.368051 N\n0.151150 0.139017 0.631949 N\n0.848850 0.639017 0.868051 N\n0.651150 0.139017 0.868051 N\n0.348850 0.639017 0.631949 N\n0.848850 0.860983 0.368051 N\n0.151150 0.360983 0.131949 N\n0.491239 0.691393 0.247219 N\n0.508761 0.191393 0.252781 N\n0.008761 0.308607 0.747219 N\n0.991239 0.808607 0.752781 N\n0.508761 0.308607 0.752781 N\n0.491239 0.808607 0.747219 N\n0.991239 0.691393 0.252781 N\n0.008761 0.191393 0.247219 N\n0.974325 0.768338 0.025338 O\n0.025675 0.268338 0.474662 O\n0.525675 0.231662 0.525338 O\n0.474325 0.731662 0.974662 O\n0.025675 0.231662 0.974662 O\n0.974325 0.731662 0.525338 O\n0.474325 0.768338 0.474662 O\n0.525675 0.268338 0.025338 O\n",
            "nsites": 72,
            "nelements": 4,
            "elements": [
                "Ba",
                "Ga",
                "N",
                "O"
            ],
            "chemical_system": "Ba-Ga-N-O",
            "density": 5.609792154392832,
            "density_atomic": 0.04490752491844371,
            "volume": 1603.2947736656336,
            "volume_molar": 13.41009278720387,
            "formula_full": "Ba32 Ga8 N24 O8",
            "formula_reduced": "Ba4GaN3O",
            "formula_anonymous": "ABC3D4",
            "energy": -402.03374315,
            "energy_per_atom": -5.583801988194445,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -387.87374315,
            "band_gap": 1.2876000000000003,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0284314,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:42.786000Z",
            "spacegroup": 61
        },
        {
            "id": "mp-1019517",
            "created_at": "2022-09-04T14:45:58.976431Z",
            "structure_string": "Ba8 Mg2 Si4 N12\n1.0\n0.000000 5.743674 10.301915\n3.986390 0.000000 10.301915\n3.986390 5.743674 0.000000\nBa Mg Si N\n8 2 4 12\ndirect\n0.850044 0.850044 0.149956 Ba\n0.149956 0.149956 0.850044 Ba\n0.399956 0.399956 0.100044 Ba\n0.100044 0.100044 0.399956 Ba\n0.668565 0.668565 0.331435 Ba\n0.331435 0.331435 0.668565 Ba\n0.581435 0.581435 0.918565 Ba\n0.918565 0.918565 0.581435 Ba\n0.500000 0.500000 0.500000 Mg\n0.750000 0.750000 0.750000 Mg\n0.842169 0.157831 0.157831 Si\n0.157831 0.842169 0.842169 Si\n0.407831 0.092169 0.092169 Si\n0.092169 0.407831 0.407831 Si\n0.783306 0.352887 0.225356 N\n0.638451 0.225356 0.352887 N\n0.225356 0.638451 0.783306 N\n0.352887 0.783306 0.638451 N\n0.466694 0.897113 0.024644 N\n0.611549 0.024644 0.897113 N\n0.024644 0.611549 0.466694 N\n0.897113 0.466694 0.611549 N\n0.885032 0.114968 0.885032 N\n0.114968 0.885032 0.114968 N\n0.364968 0.135032 0.364968 N\n0.135032 0.364968 0.135032 N\n",
            "nsites": 26,
            "nelements": 4,
            "elements": [
                "Ba",
                "Mg",
                "Si",
                "N"
            ],
            "chemical_system": "Ba-Mg-N-Si",
            "density": 5.0251940348766775,
            "density_atomic": 0.05511322477612425,
            "volume": 471.75610038452203,
            "volume_molar": 10.926852465016468,
            "formula_full": "Ba8 Mg2 Si4 N12",
            "formula_reduced": "Ba4Mg(SiN3)2",
            "formula_anonymous": "AB2C4D6",
            "energy": -168.48351214,
            "energy_per_atom": -6.480135082307692,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -164.15151214,
            "band_gap": 1.4661000000000004,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0002594,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:16.420000Z",
            "spacegroup": 70
        }
    ]
}