GET /third-parties/MatprojStructure/?format=api&ordering=is_theoretical&page=1711
HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept

{
    "count": 146323,
    "next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_theoretical&page=1712",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_theoretical&page=1710",
    "results": [
        {
            "id": "mp-22570",
            "created_at": "2022-09-04T14:46:55.679286Z",
            "structure_string": "Mg10 In4\n1.0\n-3.106995 3.708989 7.146789\n3.106995 -3.708989 7.146789\n3.106995 3.708989 -7.146789\nMg In\n10 4\ndirect\n0.075028 0.413949 0.661079 Mg\n0.924972 0.586051 0.338921 Mg\n0.247130 0.086051 0.161079 Mg\n0.752870 0.913949 0.838921 Mg\n0.500000 0.250000 0.750000 Mg\n0.500000 0.750000 0.250000 Mg\n0.733449 0.483449 0.750000 Mg\n0.266551 0.016551 0.750000 Mg\n0.266551 0.516551 0.250000 Mg\n0.733449 0.983449 0.250000 Mg\n0.643825 0.377312 0.266512 In\n0.356175 0.622688 0.733488 In\n0.889200 0.122688 0.766512 In\n0.110800 0.877312 0.233488 In\n",
            "nsites": 14,
            "nelements": 2,
            "elements": [
                "Mg",
                "In"
            ],
            "chemical_system": "In-Mg",
            "density": 3.5401227332595706,
            "density_atomic": 0.042497265329329716,
            "volume": 329.43296213316165,
            "volume_molar": 14.17065477821178,
            "formula_full": "Mg10 In4",
            "formula_reduced": "Mg5In2",
            "formula_anonymous": "A2B5",
            "energy": -28.0262646,
            "energy_per_atom": -2.001876042857143,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -28.0262646,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0013488,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:46.453000Z",
            "spacegroup": 72
        },
        {
            "id": "mp-1188713",
            "created_at": "2022-09-04T14:47:01.763800Z",
            "structure_string": "Ba2 Mg2 C4 O12\n1.0\n0.000000 -5.064485 0.000000\n-4.400690 2.532243 0.000000\n2.849014 0.000000 -11.438951\nBa Mg C O\n2 2 4 12\ndirect\n0.227083 0.000000 0.750000 Ba\n0.772917 0.000000 0.250000 Ba\n0.000000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.838379 0.229082 0.608308 C\n0.609297 0.770918 0.891692 C\n0.161621 0.770918 0.391692 C\n0.390703 0.229082 0.108308 C\n0.872431 0.636670 0.402120 O\n0.235761 0.363330 0.097880 O\n0.127569 0.363330 0.597880 O\n0.764239 0.636670 0.902120 O\n0.747246 0.062626 0.886027 O\n0.684620 0.937374 0.613973 O\n0.252754 0.937374 0.113973 O\n0.315380 0.062626 0.386027 O\n0.700752 0.391091 0.623131 O\n0.309661 0.608909 0.876869 O\n0.299248 0.608909 0.376869 O\n0.690339 0.391091 0.123131 O\n",
            "nsites": 20,
            "nelements": 4,
            "elements": [
                "Ba",
                "Mg",
                "C",
                "O"
            ],
            "chemical_system": "Ba-C-Mg-O",
            "density": 3.668987862571764,
            "density_atomic": 0.0784490575273773,
            "volume": 254.9425146761051,
            "volume_molar": 7.676498545439355,
            "formula_full": "Ba2 Mg2 C4 O12",
            "formula_reduced": "BaMg(CO3)2",
            "formula_anonymous": "ABC2D6",
            "energy": -154.50299975,
            "energy_per_atom": -7.725149987499999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -146.25899975,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0233074,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:53.290000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-1102695",
            "created_at": "2022-09-04T14:46:55.690834Z",
            "structure_string": "Yb4 Re8\n1.0\n5.426709 0.000000 0.000000\n-2.713354 4.699668 0.000000\n0.000000 0.000000 8.637086\nYb Re\n4 8\ndirect\n0.333333 0.666667 0.437751 Yb\n0.666667 0.333333 0.562249 Yb\n0.666667 0.333333 0.937751 Yb\n0.333333 0.666667 0.062249 Yb\n0.000000 0.000000 0.500000 Re\n0.000000 0.000000 0.000000 Re\n0.826971 0.173029 0.250000 Re\n0.826971 0.653943 0.250000 Re\n0.346057 0.173029 0.250000 Re\n0.173029 0.826971 0.750000 Re\n0.173029 0.346057 0.750000 Re\n0.653943 0.826971 0.750000 Re\n",
            "nsites": 12,
            "nelements": 2,
            "elements": [
                "Yb",
                "Re"
            ],
            "chemical_system": "Re-Yb",
            "density": 16.447362448975056,
            "density_atomic": 0.054476636984619284,
            "volume": 220.27791479470423,
            "volume_molar": 11.054538410108293,
            "formula_full": "Yb4 Re8",
            "formula_reduced": "YbRe2",
            "formula_anonymous": "AB2",
            "energy": -104.89652632,
            "energy_per_atom": -8.741377193333333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -104.89652632,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0405023,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:45.415000Z",
            "spacegroup": 194
        },
        {
            "id": "mp-1191498",
            "created_at": "2022-09-04T14:46:57.960971Z",
            "structure_string": "La6 Be2 V2 S14\n1.0\n5.097723 -8.829515 0.000000\n5.097723 8.829515 0.000000\n0.000000 0.000000 5.948819\nLa Be V S\n6 2 2 14\ndirect\n0.748531 0.136999 0.747195 La\n0.388468 0.251469 0.747195 La\n0.863001 0.611532 0.747195 La\n0.251469 0.863001 0.247195 La\n0.611532 0.748531 0.247195 La\n0.136999 0.388468 0.247195 La\n0.666667 0.333333 0.160721 Be\n0.333333 0.666667 0.660721 Be\n0.000000 0.000000 0.516939 V\n0.000000 0.000000 0.016939 V\n0.858729 0.076117 0.267895 S\n0.217388 0.141271 0.267895 S\n0.923883 0.782612 0.267895 S\n0.141271 0.923883 0.767895 S\n0.782612 0.858729 0.767895 S\n0.076117 0.217388 0.767895 S\n0.886972 0.404939 0.031318 S\n0.517967 0.113028 0.031318 S\n0.595061 0.482033 0.031318 S\n0.113028 0.595061 0.531318 S\n0.482033 0.886972 0.531318 S\n0.404939 0.517967 0.531318 S\n0.666667 0.333333 0.513921 S\n0.333333 0.666667 0.013921 S\n",
            "nsites": 24,
            "nelements": 4,
            "elements": [
                "La",
                "Be",
                "V",
                "S"
            ],
            "chemical_system": "Be-La-S-V",
            "density": 4.348112483037901,
            "density_atomic": 0.044816445546153084,
            "volume": 535.5177035466636,
            "volume_molar": 13.437345792624832,
            "formula_full": "La6 Be2 V2 S14",
            "formula_reduced": "La3BeVS7",
            "formula_anonymous": "ABC3D7",
            "energy": -161.31290378,
            "energy_per_atom": -6.721370990833333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -154.27090378,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 3.9992534,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:47.527000Z",
            "spacegroup": 173
        },
        {
            "id": "mp-865527",
            "created_at": "2022-09-04T14:46:56.314331Z",
            "structure_string": "Y2 Al6\n1.0\n3.137040 -5.433512 0.000000\n3.137040 5.433512 0.000000\n0.000000 0.000000 4.631853\nY Al\n2 6\ndirect\n0.333333 0.666667 0.750000 Y\n0.666667 0.333333 0.250000 Y\n0.146390 0.292779 0.250000 Al\n0.707221 0.853610 0.250000 Al\n0.146390 0.853610 0.250000 Al\n0.853610 0.707221 0.750000 Al\n0.292779 0.146390 0.750000 Al\n0.853610 0.146390 0.750000 Al\n",
            "nsites": 8,
            "nelements": 2,
            "elements": [
                "Y",
                "Al"
            ],
            "chemical_system": "Al-Y",
            "density": 3.572402502625141,
            "density_atomic": 0.050664590475605224,
            "volume": 157.9012072317443,
            "volume_molar": 11.886291201543676,
            "formula_full": "Y2 Al6",
            "formula_reduced": "YAl3",
            "formula_anonymous": "AB3",
            "energy": -38.90935826,
            "energy_per_atom": -4.8636697825,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -38.90935826,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0073642,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:48.617000Z",
            "spacegroup": 194
        },
        {
            "id": "mp-559977",
            "created_at": "2022-09-04T14:46:57.956239Z",
            "structure_string": "K2 Nd2 P8 O24\n1.0\n6.335031 4.003916 0.000000\n-6.335031 4.003916 0.000000\n0.000000 3.753317 10.072347\nK Nd P O\n2 2 8 24\ndirect\n0.816191 0.183809 0.750000 K\n0.183809 0.816191 0.250000 K\n0.120720 0.879280 0.750000 Nd\n0.879280 0.120720 0.250000 Nd\n0.259169 0.304761 0.443486 P\n0.287751 0.626814 0.999636 P\n0.712249 0.373186 0.000364 P\n0.695239 0.740831 0.056514 P\n0.740831 0.695239 0.556514 P\n0.304761 0.259169 0.943486 P\n0.373186 0.712249 0.500364 P\n0.626814 0.287751 0.499636 P\n0.717923 0.467775 0.570047 O\n0.491973 0.092282 0.613094 O\n0.282077 0.532225 0.429953 O\n0.189869 0.695928 0.597098 O\n0.811348 0.757105 0.669965 O\n0.907718 0.508027 0.886906 O\n0.508027 0.907718 0.386906 O\n0.167789 0.139812 0.083931 O\n0.092282 0.491973 0.113094 O\n0.467775 0.717923 0.070047 O\n0.242895 0.188652 0.830035 O\n0.304072 0.810131 0.902902 O\n0.832211 0.860188 0.916069 O\n0.188652 0.242895 0.330035 O\n0.695928 0.189869 0.097098 O\n0.354841 0.499152 0.914375 O\n0.139812 0.167789 0.583931 O\n0.532225 0.282077 0.929953 O\n0.500848 0.645159 0.585625 O\n0.860188 0.832211 0.416069 O\n0.757105 0.811348 0.169965 O\n0.810131 0.304072 0.402902 O\n0.645159 0.500848 0.085625 O\n0.499152 0.354841 0.414375 O\n",
            "nsites": 36,
            "nelements": 4,
            "elements": [
                "K",
                "Nd",
                "P",
                "O"
            ],
            "chemical_system": "K-Nd-O-P",
            "density": 3.24476897259187,
            "density_atomic": 0.07045440051606798,
            "volume": 510.96879309603617,
            "volume_molar": 8.547572211087905,
            "formula_full": "K2 Nd2 P8 O24",
            "formula_reduced": "KNd(PO3)4",
            "formula_anonymous": "ABC4D12",
            "energy": -278.72995448,
            "energy_per_atom": -7.7424987355555555,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -262.24195448,
            "band_gap": 5.2807,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 1.48e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:49.574000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-555182",
            "created_at": "2022-09-04T14:46:56.320135Z",
            "structure_string": "Na8 Be8 Si12 O36\n1.0\n6.880164 0.000000 0.000000\n0.000000 9.509876 0.000000\n0.000000 0.000000 11.866271\nNa Be Si O\n8 8 12 36\ndirect\n0.848043 0.967254 0.346968 Na\n0.348043 0.032746 0.153032 Na\n0.151957 0.032746 0.653032 Na\n0.848043 0.532746 0.346968 Na\n0.651957 0.532746 0.846968 Na\n0.151957 0.467254 0.653032 Na\n0.651957 0.967254 0.846968 Na\n0.348043 0.467254 0.153032 Na\n0.594363 0.059644 0.569517 Be\n0.094363 0.559644 0.930483 Be\n0.405637 0.940356 0.430483 Be\n0.405637 0.559644 0.430483 Be\n0.594363 0.440356 0.569517 Be\n0.905637 0.440356 0.069517 Be\n0.905637 0.059644 0.069517 Be\n0.094363 0.940356 0.930483 Be\n0.474907 0.250000 0.754039 Si\n0.399562 0.750000 0.996721 Si\n0.328668 0.250000 0.437672 Si\n0.899562 0.250000 0.503279 Si\n0.025093 0.250000 0.254039 Si\n0.671332 0.750000 0.562328 Si\n0.600438 0.250000 0.003279 Si\n0.525093 0.750000 0.245961 Si\n0.171332 0.250000 0.937672 Si\n0.974907 0.750000 0.745961 Si\n0.100438 0.750000 0.496721 Si\n0.828668 0.750000 0.062328 Si\n0.750552 0.750000 0.193436 O\n0.682960 0.396133 0.053216 O\n0.953472 0.608874 0.040385 O\n0.453472 0.391126 0.459615 O\n0.546528 0.608874 0.540385 O\n0.250552 0.250000 0.306564 O\n0.998552 0.896873 0.812614 O\n0.498552 0.396873 0.687386 O\n0.453472 0.108874 0.459615 O\n0.501448 0.896873 0.312614 O\n0.953472 0.891126 0.040385 O\n0.998552 0.603127 0.812614 O\n0.817040 0.103867 0.553216 O\n0.124041 0.750000 0.636419 O\n0.001448 0.396873 0.187386 O\n0.249448 0.250000 0.806564 O\n0.640243 0.750000 0.973879 O\n0.046528 0.108874 0.959615 O\n0.749448 0.750000 0.693436 O\n0.546528 0.891126 0.540385 O\n0.817040 0.396133 0.553216 O\n0.001448 0.103127 0.187386 O\n0.375959 0.750000 0.136419 O\n0.359757 0.250000 0.026121 O\n0.317040 0.603867 0.946784 O\n0.498552 0.103127 0.687386 O\n0.859757 0.750000 0.473879 O\n0.875959 0.250000 0.363581 O\n0.501448 0.603127 0.312614 O\n0.182960 0.603867 0.446784 O\n0.182960 0.896133 0.446784 O\n0.682960 0.103867 0.053216 O\n0.624041 0.250000 0.863581 O\n0.046528 0.391126 0.959615 O\n0.140243 0.250000 0.526121 O\n0.317040 0.896133 0.946784 O\n",
            "nsites": 64,
            "nelements": 4,
            "elements": [
                "Na",
                "Be",
                "Si",
                "O"
            ],
            "chemical_system": "Be-Na-O-Si",
            "density": 2.500248269939397,
            "density_atomic": 0.08243128440483712,
            "volume": 776.4042555212744,
            "volume_molar": 7.3056495522064395,
            "formula_full": "Na8 Be8 Si12 O36",
            "formula_reduced": "Na2Be2(SiO3)3",
            "formula_anonymous": "A2B2C3D9",
            "energy": -478.3851367200001,
            "energy_per_atom": -7.474767761250002,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -453.65313672,
            "band_gap": 0.0,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 2.57e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:50.746000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-1103824",
            "created_at": "2022-09-04T14:46:58.012149Z",
            "structure_string": "Tm2 Ga12\n1.0\n6.017156 0.000000 0.000000\n0.000000 6.017156 0.000000\n0.000000 0.000000 7.542076\nTm Ga\n2 12\ndirect\n0.500000 0.000000 0.000000 Tm\n0.000000 0.500000 0.000000 Tm\n0.500000 0.500000 0.160053 Ga\n0.000000 0.000000 0.160053 Ga\n0.000000 0.000000 0.839947 Ga\n0.500000 0.500000 0.839947 Ga\n0.808298 0.691702 0.347148 Ga\n0.308298 0.808298 0.347148 Ga\n0.691702 0.191702 0.347148 Ga\n0.191702 0.308298 0.347148 Ga\n0.691702 0.808298 0.652852 Ga\n0.191702 0.691702 0.652852 Ga\n0.808298 0.308298 0.652852 Ga\n0.308298 0.191702 0.652852 Ga\n",
            "nsites": 14,
            "nelements": 2,
            "elements": [
                "Tm",
                "Ga"
            ],
            "chemical_system": "Ga-Tm",
            "density": 7.142415266187229,
            "density_atomic": 0.05126896959750849,
            "volume": 273.069658116951,
            "volume_molar": 11.746170846181112,
            "formula_full": "Tm2 Ga12",
            "formula_reduced": "TmGa6",
            "formula_anonymous": "AB6",
            "energy": -49.00833031,
            "energy_per_atom": -3.500595022142857,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -49.00833031,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0003431,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:47.537000Z",
            "spacegroup": 125
        },
        {
            "id": "mp-541152",
            "created_at": "2022-09-04T14:46:55.788606Z",
            "structure_string": "Al4 Si4 H8 O18\n1.0\n-5.212979 0.000000 0.000000\n1.932443 7.224809 0.000000\n-0.042961 -0.280717 -9.047093\nAl Si H O\n4 4 8 18\ndirect\n0.640626 0.542793 0.507074 Al\n0.644443 0.541737 0.171261 Al\n0.137107 0.539777 0.007387 Al\n0.147963 0.545653 0.671339 Al\n0.941006 0.927865 0.662782 Si\n0.927750 0.924554 0.334130 Si\n0.441988 0.925202 0.162416 Si\n0.426236 0.925747 0.834223 Si\n0.795172 0.690050 0.939553 H\n0.879551 0.288017 0.828495 H\n0.899274 0.292746 0.496214 H\n0.888179 0.286318 0.183312 H\n0.304397 0.704687 0.442197 H\n0.383415 0.285907 0.332418 H\n0.386236 0.285145 0.001776 H\n0.394939 0.292721 0.686071 H\n0.889713 0.704860 0.647967 O\n0.815487 0.701836 0.338169 O\n0.939496 0.020754 0.500746 O\n0.727621 0.997841 0.768556 O\n0.736700 0.018950 0.235595 O\n0.387339 0.701986 0.147585 O\n0.316423 0.702880 0.838783 O\n0.437666 0.019998 0.001606 O\n0.230430 0.994644 0.269970 O\n0.234210 0.021472 0.737634 O\n0.887303 0.690138 0.032961 O\n0.983860 0.415890 0.834314 O\n0.903165 0.417865 0.530146 O\n0.895966 0.405907 0.142089 O\n0.393546 0.695531 0.534790 O\n0.483704 0.414782 0.335950 O\n0.397614 0.413162 0.030877 O\n0.400473 0.410581 0.642613 O\n",
            "nsites": 34,
            "nelements": 4,
            "elements": [
                "Al",
                "Si",
                "H",
                "O"
            ],
            "chemical_system": "Al-H-O-Si",
            "density": 2.516212877358002,
            "density_atomic": 0.09978322049874029,
            "volume": 340.7386515494279,
            "volume_molar": 6.035223888244844,
            "formula_full": "Al4 Si4 H8 O18",
            "formula_reduced": "Al2Si2H4O9",
            "formula_anonymous": "A2B2C4D9",
            "energy": -241.67176268,
            "energy_per_atom": -7.10799302,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -229.30576268,
            "band_gap": 5.161,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001858,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:48.313000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1203902",
            "created_at": "2022-09-04T14:46:56.325597Z",
            "structure_string": "Co2 As4 S12 N12 F36\n1.0\n9.554814 0.000000 0.000000\n0.000000 9.687661 0.000000\n0.000000 9.562799 13.652442\nCo As S N F\n2 4 12 12 36\ndirect\n0.500000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.551133 0.256826 0.746478 As\n0.948867 0.256826 0.246478 As\n0.448867 0.743174 0.253522 As\n0.051133 0.743174 0.753522 As\n0.305065 0.662214 0.536202 S\n0.194935 0.662214 0.036202 S\n0.694935 0.337786 0.463798 S\n0.805065 0.337786 0.963798 S\n0.804046 0.768749 0.537143 S\n0.695954 0.768749 0.037143 S\n0.195954 0.231251 0.462857 S\n0.304046 0.231251 0.962857 S\n0.465992 0.819913 0.750967 S\n0.034008 0.819913 0.250967 S\n0.534008 0.180087 0.249033 S\n0.965992 0.180087 0.749033 S\n0.388087 0.794294 0.526712 N\n0.111913 0.794294 0.026712 N\n0.611913 0.205706 0.473288 N\n0.888087 0.205706 0.973288 N\n0.479088 0.903557 0.646995 N\n0.020912 0.903557 0.146995 N\n0.520912 0.096443 0.353005 N\n0.979088 0.096443 0.853005 N\n0.683753 0.865669 0.528397 N\n0.816247 0.865669 0.028397 N\n0.316247 0.134331 0.471603 N\n0.183753 0.134331 0.971603 N\n0.405497 0.130365 0.763378 F\n0.094503 0.130365 0.263378 F\n0.594503 0.869635 0.236622 F\n0.905497 0.869635 0.736622 F\n0.572659 0.143483 0.875583 F\n0.927341 0.143483 0.375583 F\n0.427341 0.856517 0.124417 F\n0.072659 0.856517 0.624417 F\n0.700763 0.380744 0.729812 F\n0.799237 0.380744 0.229812 F\n0.299237 0.619256 0.270188 F\n0.200763 0.619256 0.770188 F\n0.532528 0.372238 0.617010 F\n0.967472 0.372238 0.117010 F\n0.467472 0.627762 0.382990 F\n0.032528 0.627762 0.882990 F\n0.663469 0.110960 0.745273 F\n0.836531 0.110960 0.245273 F\n0.336531 0.889040 0.254727 F\n0.163469 0.889040 0.754727 F\n0.439905 0.402303 0.747648 F\n0.060095 0.402303 0.247648 F\n0.560095 0.597697 0.252352 F\n0.939905 0.597697 0.752352 F\n0.153890 0.725350 0.473908 F\n0.346110 0.725350 0.973908 F\n0.846110 0.274650 0.526092 F\n0.653890 0.274650 0.026092 F\n0.799098 0.694604 0.468373 F\n0.700902 0.694604 0.968373 F\n0.200902 0.305396 0.531627 F\n0.299098 0.305396 0.031627 F\n0.545456 0.632561 0.818254 F\n0.954544 0.632561 0.318254 F\n0.454544 0.367439 0.181746 F\n0.045456 0.367439 0.681746 F\n",
            "nsites": 66,
            "nelements": 5,
            "elements": [
                "Co",
                "As",
                "S",
                "N",
                "F"
            ],
            "chemical_system": "As-Co-F-N-S",
            "density": 2.1738345170888493,
            "density_atomic": 0.05222668071559655,
            "volume": 1263.7218964652734,
            "volume_molar": 11.530774457587915,
            "formula_full": "Co2 As4 S12 N12 F36",
            "formula_reduced": "CoAs2S6(NF3)6",
            "formula_anonymous": "AB2C6D6E18",
            "energy": -345.86014522,
            "energy_per_atom": -5.240305230606061,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -321.62014522,
            "band_gap": 1.9483,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 6.4400223,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:51.623000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1193109",
            "created_at": "2022-09-04T14:46:58.742314Z",
            "structure_string": "Na4 Ca4 As4 O16\n1.0\n5.317559 0.000000 0.000000\n0.000000 6.747549 0.000000\n0.000000 0.000000 11.633203\nNa Ca As O\n4 4 4 16\ndirect\n0.000000 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.500000 0.500000 Na\n0.500000 0.000000 0.000000 Na\n0.505673 0.750000 0.280598 Ca\n0.994327 0.750000 0.780598 Ca\n0.494327 0.250000 0.719402 Ca\n0.005673 0.250000 0.219402 Ca\n0.432220 0.750000 0.598044 As\n0.067780 0.750000 0.098044 As\n0.567780 0.250000 0.401956 As\n0.932220 0.250000 0.901956 As\n0.314823 0.750000 0.460115 O\n0.185177 0.750000 0.960115 O\n0.685177 0.250000 0.539885 O\n0.814823 0.250000 0.039885 O\n0.754128 0.750000 0.604396 O\n0.745872 0.750000 0.104396 O\n0.245872 0.250000 0.395604 O\n0.254128 0.250000 0.895604 O\n0.294933 0.550197 0.668465 O\n0.205067 0.949803 0.168465 O\n0.705067 0.050197 0.331535 O\n0.794933 0.449803 0.831535 O\n0.705067 0.449803 0.331535 O\n0.794933 0.050197 0.831535 O\n0.294933 0.949803 0.668465 O\n0.205067 0.550197 0.168465 O\n",
            "nsites": 28,
            "nelements": 4,
            "elements": [
                "Na",
                "Ca",
                "As",
                "O"
            ],
            "chemical_system": "As-Ca-Na-O",
            "density": 3.2142138693625886,
            "density_atomic": 0.06708112855404913,
            "volume": 417.40502289611334,
            "volume_molar": 8.977399292183634,
            "formula_full": "Na4 Ca4 As4 O16",
            "formula_reduced": "NaCaAsO4",
            "formula_anonymous": "ABCD4",
            "energy": -181.2077712,
            "energy_per_atom": -6.471706114285714,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -170.2157712,
            "band_gap": 3.5934,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0002237,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:45.667000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-1199435",
            "created_at": "2022-09-04T14:47:01.734755Z",
            "structure_string": "H8 N8 O24\n1.0\n8.083698 0.000000 0.000000\n0.000000 8.690440 0.000000\n-4.402441 0.000000 7.203498\nH N O\n8 8 24\ndirect\n0.030234 0.551089 0.751681 H\n0.030234 0.948911 0.251681 H\n0.969766 0.448911 0.248319 H\n0.969766 0.051089 0.748319 H\n0.487822 0.792167 0.695995 H\n0.487822 0.707833 0.195995 H\n0.512178 0.207833 0.304005 H\n0.512178 0.292167 0.804005 H\n0.012836 0.770587 0.731863 N\n0.012836 0.729413 0.231863 N\n0.987164 0.229413 0.268137 N\n0.987164 0.270587 0.768137 N\n0.482314 0.573479 0.720869 N\n0.482314 0.926521 0.220869 N\n0.517686 0.426521 0.279131 N\n0.517686 0.073479 0.779131 N\n0.891946 0.763902 0.776816 O\n0.891946 0.736098 0.276816 O\n0.108054 0.236098 0.223184 O\n0.108054 0.263902 0.723184 O\n0.075951 0.886698 0.696802 O\n0.075951 0.613302 0.196802 O\n0.924049 0.113302 0.303198 O\n0.924049 0.386698 0.803198 O\n0.092797 0.634594 0.717606 O\n0.092797 0.865406 0.217606 O\n0.907203 0.365406 0.282394 O\n0.907203 0.134594 0.782394 O\n0.599657 0.587872 0.886774 O\n0.599657 0.912128 0.386774 O\n0.400343 0.412128 0.113226 O\n0.400343 0.087872 0.613226 O\n0.407348 0.453247 0.635898 O\n0.407348 0.046753 0.135898 O\n0.592652 0.546753 0.364102 O\n0.592652 0.953247 0.864102 O\n0.421648 0.703164 0.609307 O\n0.421648 0.796836 0.109307 O\n0.578352 0.296836 0.390693 O\n0.578352 0.203164 0.890693 O\n",
            "nsites": 40,
            "nelements": 3,
            "elements": [
                "H",
                "N",
                "O"
            ],
            "chemical_system": "H-N-O",
            "density": 1.6541422425272785,
            "density_atomic": 0.07904323487882631,
            "volume": 506.05216324104407,
            "volume_molar": 7.618793397350163,
            "formula_full": "H8 N8 O24",
            "formula_reduced": "HNO3",
            "formula_anonymous": "ABC3",
            "energy": -248.06915445,
            "energy_per_atom": -6.20172886125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -231.58115445,
            "band_gap": 3.8974,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0259316,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:47.907000Z",
            "spacegroup": 14
        }
    ]
}