GET /third-parties/MatprojStructure/?format=api&ordering=formation_energy_per_atom&page=1713
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=formation_energy_per_atom&page=1714",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy_per_atom&page=1712",
    "results": [
        {
            "id": "mp-1111066",
            "created_at": "2022-09-04T14:46:16.522560Z",
            "structure_string": "Na2 Cu1 Mo1 F6\n1.0\n5.976037 0.000000 0.000000\n2.988019 5.175400 0.000000\n2.988019 1.725133 4.879414\nNa Cu Mo F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Mo\n0.245185 0.754815 0.245185 F\n0.754815 0.754815 0.245185 F\n0.754815 0.245185 0.754815 F\n0.754815 0.245185 0.245185 F\n0.245185 0.754815 0.754815 F\n0.245185 0.245185 0.754815 F\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "Na",
                "Cu",
                "Mo",
                "F"
            ],
            "chemical_system": "Cu-F-Mo-Na",
            "density": 3.515080070689016,
            "density_atomic": 0.06626361619331134,
            "volume": 150.91237959043656,
            "volume_molar": 9.088155923201601,
            "formula_full": "Na2 Cu1 Mo1 F6",
            "formula_reduced": "Na2CuMoF6",
            "formula_anonymous": "ABC2D6",
            "energy": -52.95861535,
            "energy_per_atom": -5.295861535,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -46.98461535,
            "band_gap": 0.2749999999999999,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 2.9998385,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:30.725000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-20107",
            "created_at": "2022-09-04T14:46:16.529044Z",
            "structure_string": "Mn4 Cu4 As4\n1.0\n3.693325 0.000000 0.000000\n0.000000 6.256894 0.000000\n0.000000 0.000000 7.604642\nMn Cu As\n4 4 4\ndirect\n0.750000 0.956365 0.836386 Mn\n0.250000 0.043635 0.163614 Mn\n0.750000 0.456365 0.663614 Mn\n0.250000 0.543635 0.336386 Mn\n0.750000 0.863968 0.440425 Cu\n0.250000 0.136032 0.559575 Cu\n0.750000 0.363968 0.059575 Cu\n0.250000 0.636032 0.940425 Cu\n0.750000 0.252252 0.363316 As\n0.250000 0.747748 0.636684 As\n0.750000 0.752252 0.136684 As\n0.250000 0.247748 0.863316 As\n",
            "nsites": 12,
            "nelements": 3,
            "elements": [
                "Mn",
                "Cu",
                "As"
            ],
            "chemical_system": "As-Cu-Mn",
            "density": 7.310096962257714,
            "density_atomic": 0.0682851313225799,
            "volume": 175.7337178325371,
            "volume_molar": 8.819109875547172,
            "formula_full": "Mn4 Cu4 As4",
            "formula_reduced": "MnCuAs",
            "formula_anonymous": "ABC",
            "energy": -71.54677651,
            "energy_per_atom": -5.962231375833333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -71.54677651,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 14.2383913,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:34.225000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-753054",
            "created_at": "2022-09-04T14:46:17.276694Z",
            "structure_string": "K4 I4 O8 F8\n1.0\n6.005670 0.000000 0.000000\n0.000000 8.731818 0.000000\n0.000000 0.000000 8.809366\nK I O F\n4 4 8 8\ndirect\n0.482272 0.257399 0.217175 K\n0.482272 0.757399 0.282825 K\n0.517728 0.257399 0.717175 K\n0.517728 0.757399 0.782825 K\n0.046592 0.020389 0.017585 I\n0.953408 0.520389 0.982415 I\n0.046592 0.520389 0.482415 I\n0.953408 0.020389 0.517585 I\n0.990366 0.726229 0.988981 O\n0.178121 0.997097 0.200416 O\n0.178121 0.497097 0.299584 O\n0.990366 0.226229 0.511019 O\n0.009634 0.726229 0.488981 O\n0.821879 0.997097 0.700416 O\n0.821879 0.497097 0.799584 O\n0.009634 0.226229 0.011019 O\n0.638332 0.540698 0.079181 F\n0.739808 0.994789 0.108602 F\n0.739808 0.494789 0.391398 F\n0.638332 0.040698 0.420820 F\n0.361668 0.540698 0.579180 F\n0.260192 0.994789 0.608602 F\n0.260192 0.494789 0.891398 F\n0.361668 0.040698 0.920820 F\n",
            "nsites": 24,
            "nelements": 4,
            "elements": [
                "K",
                "I",
                "O",
                "F"
            ],
            "chemical_system": "F-I-K-O",
            "density": 3.3931832166157423,
            "density_atomic": 0.051951781890287284,
            "volume": 461.966830140372,
            "volume_molar": 11.591788656484713,
            "formula_full": "K4 I4 O8 F8",
            "formula_reduced": "KI(OF)2",
            "formula_anonymous": "ABC2D2",
            "energy": -109.23270598,
            "energy_per_atom": -4.551362749166667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -100.04070598,
            "band_gap": 3.7254,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0027806,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:28.719000Z",
            "spacegroup": 29
        },
        {
            "id": "mp-1246849",
            "created_at": "2022-09-04T14:46:17.518642Z",
            "structure_string": "Zr4 Fe4 N8\n1.0\n6.310089 0.000000 0.000000\n0.000000 7.201961 0.000000\n0.000000 0.000000 4.398092\nZr Fe N\n4 4 8\ndirect\n0.609032 0.372995 0.935250 Zr\n0.390968 0.627005 0.435250 Zr\n0.890968 0.872995 0.435250 Zr\n0.109032 0.127005 0.935250 Zr\n0.568016 0.867883 0.935250 Fe\n0.431984 0.132117 0.435250 Fe\n0.931984 0.367883 0.435250 Fe\n0.068016 0.632117 0.935250 Fe\n0.594985 0.382259 0.435251 N\n0.405015 0.617741 0.935251 N\n0.905015 0.882259 0.935251 N\n0.094985 0.117741 0.435251 N\n0.556288 0.879159 0.435248 N\n0.443712 0.120841 0.935248 N\n0.943712 0.379159 0.935248 N\n0.056288 0.620841 0.435248 N\n",
            "nsites": 16,
            "nelements": 3,
            "elements": [
                "Zr",
                "Fe",
                "N"
            ],
            "chemical_system": "Fe-N-Zr",
            "density": 5.818365778978746,
            "density_atomic": 0.08005149055824183,
            "volume": 199.8713564035279,
            "volume_molar": 7.522834013463577,
            "formula_full": "Zr4 Fe4 N8",
            "formula_reduced": "ZrFeN2",
            "formula_anonymous": "ABC2",
            "energy": -149.1670473,
            "energy_per_atom": -9.32294045625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -146.2790473,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 12.6607331,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:33.530000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-849785",
            "created_at": "2022-09-04T14:46:34.470923Z",
            "structure_string": "Na4 Cr4 H88 N24 Cl16 O8\n1.0\n7.146306 0.000000 0.000000\n0.000000 9.275100 0.000000\n0.000000 0.000000 22.854147\nNa Cr H N Cl O\n4 4 88 24 16 8\ndirect\n0.103079 0.093409 0.873726 Na\n0.396921 0.906591 0.373726 Na\n0.603079 0.406591 0.126274 Na\n0.896921 0.593409 0.626274 Na\n0.099076 0.903360 0.121616 Cr\n0.400924 0.096640 0.621616 Cr\n0.599076 0.596640 0.878384 Cr\n0.900924 0.403360 0.378384 Cr\n0.007768 0.630460 0.095391 H\n0.042705 0.647098 0.336027 H\n0.046689 0.835308 0.440226 H\n0.064032 0.366271 0.276934 H\n0.074317 0.494726 0.477442 H\n0.083623 0.716619 0.035598 H\n0.083809 0.089525 0.679017 H\n0.103341 0.465320 0.731716 H\n0.086564 0.107425 0.561841 H\n0.129439 0.092874 0.206518 H\n0.129494 0.227025 0.318470 H\n0.136688 0.932471 0.572324 H\n0.138620 0.265193 0.672201 H\n0.176332 0.180599 0.143745 H\n0.183027 0.560718 0.419681 H\n0.212784 0.389021 0.438410 H\n0.209925 0.774325 0.479078 H\n0.229642 0.391328 0.326123 H\n0.234283 0.652041 0.083674 H\n0.238350 0.164527 0.723208 H\n0.241787 0.025093 0.519800 H\n0.244533 0.520715 0.684394 H\n0.255467 0.479285 0.184394 H\n0.258213 0.974907 0.019800 H\n0.261650 0.835473 0.223208 H\n0.265717 0.347959 0.583674 H\n0.270358 0.608672 0.826123 H\n0.290075 0.225675 0.979078 H\n0.287216 0.610979 0.938410 H\n0.316973 0.439282 0.919681 H\n0.323668 0.819401 0.643745 H\n0.361380 0.734807 0.172201 H\n0.363312 0.067529 0.072324 H\n0.370506 0.772975 0.818470 H\n0.370561 0.907126 0.706518 H\n0.413436 0.892575 0.061841 H\n0.396659 0.534680 0.231716 H\n0.416191 0.910475 0.179017 H\n0.416377 0.283381 0.535598 H\n0.425683 0.505274 0.977442 H\n0.435968 0.633729 0.776934 H\n0.453311 0.164692 0.940226 H\n0.457295 0.352902 0.836027 H\n0.492232 0.369540 0.595391 H\n0.507768 0.869540 0.904609 H\n0.542705 0.852902 0.663973 H\n0.546689 0.664692 0.559774 H\n0.564032 0.133729 0.723066 H\n0.574317 0.005274 0.522558 H\n0.583623 0.783381 0.964402 H\n0.583809 0.410475 0.320983 H\n0.603341 0.034680 0.268284 H\n0.586564 0.392575 0.438159 H\n0.629439 0.407126 0.793482 H\n0.629494 0.272975 0.681530 H\n0.636688 0.567529 0.427676 H\n0.638620 0.234807 0.327799 H\n0.676332 0.319401 0.856255 H\n0.683027 0.939282 0.580319 H\n0.712784 0.110979 0.561590 H\n0.709925 0.725675 0.520922 H\n0.729642 0.108672 0.673877 H\n0.734283 0.847959 0.916326 H\n0.738350 0.335473 0.276792 H\n0.741787 0.474907 0.480200 H\n0.744533 0.979285 0.315606 H\n0.755467 0.020715 0.815606 H\n0.758213 0.525093 0.980200 H\n0.761650 0.664527 0.776792 H\n0.765717 0.152041 0.416326 H\n0.770358 0.891328 0.173877 H\n0.790075 0.274325 0.020922 H\n0.787216 0.889021 0.061590 H\n0.816973 0.060718 0.080319 H\n0.823668 0.680599 0.356255 H\n0.861380 0.765193 0.827799 H\n0.863312 0.432471 0.927676 H\n0.870506 0.727025 0.181530 H\n0.870561 0.592874 0.293482 H\n0.913436 0.607425 0.938159 H\n0.896659 0.965320 0.768284 H\n0.916191 0.589525 0.820983 H\n0.916377 0.216619 0.464402 H\n0.925683 0.994726 0.022558 H\n0.935968 0.866271 0.223066 H\n0.953311 0.335308 0.059774 H\n0.957295 0.147098 0.163973 H\n0.992232 0.130460 0.404609 H\n0.090876 0.105272 0.163433 N\n0.106097 0.701609 0.079772 N\n0.106208 0.336959 0.318490 N\n0.114735 0.471071 0.435400 N\n0.191858 0.163877 0.680643 N\n0.192832 0.031392 0.561961 N\n0.307168 0.968608 0.061961 N\n0.308142 0.836123 0.180643 N\n0.385265 0.528929 0.935400 N\n0.393792 0.663041 0.818490 N\n0.393903 0.298391 0.579772 N\n0.409124 0.894728 0.663433 N\n0.590876 0.394728 0.836567 N\n0.606097 0.798391 0.920228 N\n0.606208 0.163041 0.681510 N\n0.614735 0.028929 0.564600 N\n0.691858 0.336123 0.319357 N\n0.692832 0.468608 0.438039 N\n0.807168 0.531392 0.938039 N\n0.808142 0.663877 0.819357 N\n0.885265 0.971071 0.064600 N\n0.893792 0.836959 0.181510 N\n0.893903 0.201609 0.420228 N\n0.909124 0.605272 0.336567 N\n0.078520 0.979683 0.302853 Cl\n0.099222 0.389128 0.823474 Cl\n0.097748 0.807670 0.938635 Cl\n0.232412 0.663290 0.561182 Cl\n0.267588 0.336710 0.061182 Cl\n0.402252 0.192330 0.438635 Cl\n0.400778 0.610872 0.323474 Cl\n0.421480 0.020317 0.802853 Cl\n0.578520 0.520317 0.697147 Cl\n0.599222 0.110872 0.176526 Cl\n0.597748 0.692330 0.061365 Cl\n0.732412 0.836710 0.438818 Cl\n0.767588 0.163290 0.938818 Cl\n0.902252 0.307670 0.561365 Cl\n0.900778 0.889128 0.676526 Cl\n0.921480 0.479683 0.197147 Cl\n0.113740 0.489260 0.689734 O\n0.184200 0.823904 0.441587 O\n0.315800 0.176096 0.941587 O\n0.386260 0.510740 0.189734 O\n0.613740 0.010740 0.310266 O\n0.684200 0.676096 0.558413 O\n0.815800 0.323904 0.058413 O\n0.886260 0.989260 0.810266 O\n",
            "nsites": 144,
            "nelements": 6,
            "elements": [
                "Na",
                "Cr",
                "H",
                "N",
                "Cl",
                "O"
            ],
            "chemical_system": "Cl-Cr-H-N-Na-O",
            "density": 1.55663340108107,
            "density_atomic": 0.09505988104050514,
            "volume": 1514.8346329051412,
            "volume_molar": 6.335102352415061,
            "formula_full": "Na4 Cr4 H88 N24 Cl16 O8",
            "formula_reduced": "NaCrH22N6(Cl2O)2",
            "formula_anonymous": "ABC2D4E6F22",
            "energy": -732.63008519,
            "energy_per_atom": -5.087708924930556,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -700.65008519,
            "band_gap": 3.6354,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 3.6459234,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:29.466000Z",
            "spacegroup": 19
        },
        {
            "id": "mp-558432",
            "created_at": "2022-09-04T14:46:15.213843Z",
            "structure_string": "Na24 P8 S16 O16\n1.0\n5.899039 0.000000 0.000000\n0.000000 11.426414 0.000000\n0.000000 0.000000 17.741905\nNa P S O\n24 8 16 16\ndirect\n0.347673 0.171490 0.946524 Na\n0.192253 0.619278 0.736441 Na\n0.192253 0.119278 0.763559 Na\n0.307747 0.619278 0.236441 Na\n0.237296 0.379013 0.591128 Na\n0.847673 0.328510 0.946524 Na\n0.237296 0.879013 0.908872 Na\n0.807747 0.380722 0.263559 Na\n0.262704 0.879013 0.408872 Na\n0.692253 0.380722 0.763559 Na\n0.652327 0.828510 0.053476 Na\n0.762704 0.620987 0.408872 Na\n0.152327 0.671490 0.053476 Na\n0.737296 0.120987 0.591128 Na\n0.807747 0.880722 0.236441 Na\n0.262704 0.379013 0.091128 Na\n0.692253 0.880722 0.736441 Na\n0.737296 0.620987 0.908872 Na\n0.152327 0.171490 0.446524 Na\n0.307747 0.119278 0.263559 Na\n0.762704 0.120987 0.091128 Na\n0.347673 0.671490 0.553476 Na\n0.847673 0.828510 0.553476 Na\n0.652327 0.328510 0.446524 Na\n0.823854 0.058562 0.889718 P\n0.323854 0.941438 0.610282 P\n0.323854 0.441438 0.889718 P\n0.676146 0.058562 0.389718 P\n0.176146 0.941438 0.110282 P\n0.676146 0.558562 0.110282 P\n0.823854 0.558562 0.610282 P\n0.176146 0.441438 0.389718 P\n0.226084 0.117124 0.602075 S\n0.311854 0.375919 0.290869 S\n0.811854 0.124081 0.290869 S\n0.726084 0.882876 0.897925 S\n0.726084 0.382876 0.602075 S\n0.773916 0.882876 0.397925 S\n0.811854 0.624081 0.209131 S\n0.226084 0.617124 0.897925 S\n0.311854 0.875919 0.209131 S\n0.688146 0.124081 0.790869 S\n0.188146 0.875919 0.709131 S\n0.273916 0.117124 0.102075 S\n0.273916 0.617124 0.397925 S\n0.688146 0.624081 0.709131 S\n0.773916 0.382876 0.102075 S\n0.188146 0.375919 0.790869 S\n0.585207 0.938164 0.614792 O\n0.232529 0.869913 0.542808 O\n0.267471 0.369913 0.457192 O\n0.267471 0.869913 0.042808 O\n0.085207 0.061836 0.885208 O\n0.232529 0.369913 0.957192 O\n0.585207 0.438164 0.885208 O\n0.414793 0.061836 0.385208 O\n0.914793 0.938164 0.114792 O\n0.414793 0.561836 0.114792 O\n0.732529 0.130087 0.957192 O\n0.085207 0.561836 0.614792 O\n0.914793 0.438164 0.385208 O\n0.767471 0.130087 0.457192 O\n0.732529 0.630087 0.542808 O\n0.767471 0.630087 0.042808 O\n",
            "nsites": 64,
            "nelements": 4,
            "elements": [
                "Na",
                "P",
                "S",
                "O"
            ],
            "chemical_system": "Na-O-P-S",
            "density": 2.1780252126027286,
            "density_atomic": 0.05351659847731801,
            "volume": 1195.8906548801897,
            "volume_molar": 11.252846651964193,
            "formula_full": "Na24 P8 S16 O16",
            "formula_reduced": "Na3P(SO)2",
            "formula_anonymous": "AB2C2D3",
            "energy": -338.99455214,
            "energy_per_atom": -5.2967898771875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -319.95455214,
            "band_gap": 3.5178,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:27.460000Z",
            "spacegroup": 61
        },
        {
            "id": "mp-1516760",
            "created_at": "2022-09-04T14:46:15.221480Z",
            "structure_string": "Ba1 Dy1 Nb1 Sn1 O6\n1.0\n0.000000 -4.249356 -4.249356\n4.249356 0.000000 -4.249356\n4.249356 -4.249356 -0.000000\nBa Dy Nb Sn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 -0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Nb\n0.750000 0.750000 0.750000 Sn\n0.737147 0.262853 0.262853 O\n0.262853 0.737147 0.737147 O\n0.737147 0.262853 0.737147 O\n0.262853 0.737147 0.262853 O\n0.737147 0.737147 0.262853 O\n0.262853 0.262853 0.737147 O\n",
            "nsites": 10,
            "nelements": 5,
            "elements": [
                "Ba",
                "Dy",
                "Nb",
                "Sn",
                "O"
            ],
            "chemical_system": "Ba-Dy-Nb-O-Sn",
            "density": 6.572838801302542,
            "density_atomic": 0.06516293758026923,
            "volume": 153.46146707523377,
            "volume_molar": 9.241665559631635,
            "formula_full": "Ba1 Dy1 Nb1 Sn1 O6",
            "formula_reduced": "BaDyNbSnO6",
            "formula_anonymous": "ABCDE6",
            "energy": -80.04983599,
            "energy_per_atom": -8.004983599000001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -75.92783599,
            "band_gap": 2.4437,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:23.631000Z",
            "spacegroup": 216
        },
        {
            "id": "mp-807421",
            "created_at": "2022-09-04T14:46:15.227590Z",
            "structure_string": "Li4 Mn2 V2 P8 O28\n1.0\n7.158114 0.000000 0.000000\n-1.744575 9.451797 0.000000\n-1.750527 -5.109986 7.954266\nLi Mn V P O\n4 2 2 8 28\ndirect\n0.325041 0.793116 0.568180 Li\n0.674270 0.042109 0.819310 Li\n0.325728 0.289750 0.071560 Li\n0.675924 0.541537 0.319144 Li\n0.269945 0.256715 0.742784 Mn\n0.730712 0.988218 0.509935 Mn\n0.271786 0.756244 0.243042 V\n0.727520 0.494515 0.005753 V\n0.518451 0.708746 0.470335 P\n0.521760 0.209387 0.969821 P\n0.087097 0.242886 0.545071 P\n0.088447 0.738437 0.044569 P\n0.910920 0.866467 0.419749 P\n0.913650 0.363732 0.920496 P\n0.483367 0.576259 0.102318 P\n0.476991 0.081457 0.598500 P\n0.084628 0.058271 0.875327 O\n0.391859 0.370116 0.806391 O\n0.505214 0.884731 0.956679 O\n0.112379 0.684211 0.518431 O\n0.150131 0.137078 0.690086 O\n0.480916 0.405255 0.628897 O\n0.494919 0.886108 0.454384 O\n0.506672 0.386263 0.956782 O\n0.604432 0.911980 0.765268 O\n0.609297 0.401720 0.271371 O\n0.916120 0.493035 0.939726 O\n0.911232 0.998218 0.438291 O\n0.750921 0.654184 0.500768 O\n0.246231 0.059361 0.595260 O\n0.250566 0.558280 0.095610 O\n0.087571 0.560656 0.376430 O\n0.395710 0.867583 0.306277 O\n0.492299 0.394120 0.448686 O\n0.517976 0.952905 0.584164 O\n0.517829 0.451969 0.084524 O\n0.855700 0.587616 0.736747 O\n0.846257 0.091243 0.235388 O\n0.888252 0.664602 0.029300 O\n0.885817 0.175935 0.528835 O\n0.113531 0.170406 0.025417 O\n0.147054 0.640064 0.185417 O\n0.482542 0.909532 0.128536 O\n0.752333 0.151726 0.000859 O\n",
            "nsites": 44,
            "nelements": 5,
            "elements": [
                "Li",
                "Mn",
                "V",
                "P",
                "O"
            ],
            "chemical_system": "Li-Mn-O-P-V",
            "density": 2.8859263748007242,
            "density_atomic": 0.0817597528655807,
            "volume": 538.1620963597991,
            "volume_molar": 7.365654309034985,
            "formula_full": "Li4 Mn2 V2 P8 O28",
            "formula_reduced": "Li2MnV(P2O7)2",
            "formula_anonymous": "ABC2D4E14",
            "energy": -8.49184513,
            "energy_per_atom": -0.19299648022727273,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1.75584513,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 10.6626317,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:30.793000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1026418",
            "created_at": "2022-09-04T14:46:15.232239Z",
            "structure_string": "Hf1 Mg14 Sb1\n1.0\n6.359301 0.000000 0.000000\n-3.179650 5.507315 0.000000\n-0.000000 0.000000 10.418510\nHf Mg Sb\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Hf\n0.164045 0.832022 0.125000 Mg\n0.171668 0.835833 0.625000 Mg\n0.667978 0.335955 0.125000 Mg\n0.664167 0.328332 0.625000 Mg\n0.667978 0.832022 0.125000 Mg\n0.664167 0.835833 0.625000 Mg\n0.329606 0.170394 0.379091 Mg\n0.329606 0.170394 0.870909 Mg\n0.329606 0.659212 0.379091 Mg\n0.329606 0.659212 0.870909 Mg\n0.840788 0.170394 0.379091 Mg\n0.840788 0.170394 0.870909 Mg\n0.833333 0.666667 0.380187 Mg\n0.833333 0.666667 0.869813 Mg\n0.166667 0.333333 0.125000 Sb\n",
            "nsites": 16,
            "nelements": 3,
            "elements": [
                "Hf",
                "Mg",
                "Sb"
            ],
            "chemical_system": "Hf-Mg-Sb",
            "density": 2.914921614189744,
            "density_atomic": 0.043849542924082587,
            "volume": 364.88407707466996,
            "volume_molar": 13.733645457664698,
            "formula_full": "Hf1 Mg14 Sb1",
            "formula_reduced": "HfMg14Sb",
            "formula_anonymous": "ABC14",
            "energy": -36.60921245,
            "energy_per_atom": -2.288075778125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -36.41721245,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 2.64e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:32.516000Z",
            "spacegroup": 187
        },
        {
            "id": "mp-683974",
            "created_at": "2022-09-04T14:46:15.235167Z",
            "structure_string": "Pr24 Se36 O108\n1.0\n7.154285 0.000000 0.000000\n0.000000 17.092152 0.000000\n0.000000 4.586310 21.521246\nPr Se O\n24 36 108\ndirect\n0.332854 0.601042 0.947543 Pr\n0.328117 0.177104 0.738107 Pr\n0.351781 0.863524 0.087529 Pr\n0.320584 0.264571 0.286745 Pr\n0.858240 0.539779 0.862870 Pr\n0.641760 0.039779 0.362870 Pr\n0.851781 0.636476 0.412471 Pr\n0.648219 0.136476 0.912471 Pr\n0.667146 0.398958 0.052457 Pr\n0.828117 0.322896 0.761893 Pr\n0.148823 0.032764 0.910914 Pr\n0.648823 0.467236 0.589086 Pr\n0.179416 0.764571 0.786745 Pr\n0.358240 0.960221 0.637130 Pr\n0.851177 0.967236 0.089086 Pr\n0.148219 0.363524 0.587529 Pr\n0.167146 0.101042 0.447543 Pr\n0.141760 0.460221 0.137130 Pr\n0.171883 0.677104 0.238107 Pr\n0.671883 0.822896 0.261893 Pr\n0.832854 0.898958 0.552457 Pr\n0.679416 0.735429 0.713255 Pr\n0.820584 0.235429 0.213255 Pr\n0.351177 0.532764 0.410914 Pr\n0.616877 0.695702 0.549241 Se\n0.091453 0.461524 0.290777 Se\n0.908547 0.538476 0.709223 Se\n0.854558 0.931246 0.699467 Se\n0.591453 0.038476 0.209223 Se\n0.193970 0.739583 0.637764 Se\n0.321935 0.897029 0.484318 Se\n0.145442 0.068754 0.300533 Se\n0.579095 0.365157 0.886768 Se\n0.832461 0.766556 0.103992 Se\n0.667539 0.266556 0.603992 Se\n0.824705 0.108744 0.769292 Se\n0.354558 0.568754 0.800533 Se\n0.818869 0.433927 0.446321 Se\n0.806030 0.260417 0.362236 Se\n0.821935 0.602971 0.015682 Se\n0.116877 0.804298 0.950759 Se\n0.167539 0.233444 0.896008 Se\n0.306030 0.239583 0.137764 Se\n0.324705 0.391256 0.730708 Se\n0.681131 0.933927 0.946321 Se\n0.181131 0.566073 0.553679 Se\n0.883123 0.195702 0.049241 Se\n0.645442 0.431246 0.199467 Se\n0.332461 0.733444 0.396008 Se\n0.920905 0.865157 0.386768 Se\n0.678065 0.102971 0.515682 Se\n0.408547 0.961524 0.790777 Se\n0.175295 0.891256 0.230708 Se\n0.079095 0.134843 0.613232 Se\n0.693970 0.760417 0.862236 Se\n0.420905 0.634843 0.113232 Se\n0.383123 0.304298 0.450759 Se\n0.318869 0.066073 0.053679 Se\n0.178065 0.397029 0.984318 Se\n0.675295 0.608744 0.269292 Se\n0.523233 0.012645 0.725691 O\n0.515200 0.565898 0.860457 O\n0.164692 0.302571 0.173542 O\n0.589578 0.603887 0.598586 O\n0.826085 0.389158 0.161594 O\n0.858511 0.664703 0.291996 O\n0.639958 0.885203 0.021528 O\n0.988512 0.598088 0.959759 O\n0.330321 0.492711 0.532791 O\n0.510874 0.684842 0.259964 O\n0.170005 0.222774 0.627601 O\n0.201602 0.745897 0.899913 O\n0.669679 0.507289 0.467209 O\n0.511488 0.098088 0.459759 O\n0.774569 0.459899 0.693330 O\n0.490821 0.337813 0.582852 O\n0.811898 0.681449 0.508489 O\n0.420292 0.803596 0.337787 O\n0.188102 0.318551 0.491511 O\n0.977381 0.280490 0.304217 O\n0.522619 0.780490 0.804217 O\n0.754653 0.591302 0.746723 O\n0.015200 0.934102 0.639543 O\n0.103849 0.156799 0.247486 O\n0.023233 0.487355 0.774309 O\n0.798398 0.254103 0.100087 O\n0.634856 0.552312 0.342966 O\n0.298398 0.245897 0.399913 O\n0.829995 0.777226 0.372399 O\n0.114457 0.464345 0.918197 O\n0.079708 0.303596 0.837787 O\n0.989126 0.184842 0.759964 O\n0.725431 0.959899 0.193330 O\n0.579708 0.196404 0.662213 O\n0.347916 0.456793 0.009735 O\n0.225431 0.540101 0.306670 O\n0.010874 0.815158 0.240036 O\n0.311444 0.174120 0.857677 O\n0.506405 0.003934 0.077598 O\n0.006405 0.496066 0.422402 O\n0.022619 0.719510 0.695783 O\n0.847916 0.043207 0.490265 O\n0.641489 0.164703 0.791996 O\n0.358511 0.835297 0.208004 O\n0.673915 0.889158 0.661594 O\n0.745347 0.091302 0.246723 O\n0.688102 0.181449 0.008489 O\n0.139958 0.614797 0.478472 O\n0.326085 0.110842 0.338406 O\n0.011488 0.401912 0.040241 O\n0.311898 0.818551 0.991511 O\n0.885543 0.535655 0.081803 O\n0.984800 0.065898 0.360457 O\n0.865144 0.052312 0.842966 O\n0.285210 0.609591 0.055348 O\n0.094765 0.802869 0.577174 O\n0.652084 0.543207 0.990265 O\n0.688556 0.825880 0.142323 O\n0.603849 0.343201 0.252514 O\n0.701602 0.754103 0.600087 O\n0.180606 0.073297 0.676488 O\n0.785210 0.890409 0.444652 O\n0.990821 0.162187 0.917148 O\n0.489126 0.315158 0.740036 O\n0.484800 0.434102 0.139543 O\n0.476767 0.987355 0.274309 O\n0.329995 0.722774 0.127601 O\n0.664692 0.197429 0.326458 O\n0.385543 0.964345 0.418197 O\n0.835308 0.697429 0.826458 O\n0.594765 0.697131 0.922826 O\n0.173915 0.610842 0.838406 O\n0.410422 0.396113 0.401414 O\n0.830321 0.007289 0.967209 O\n0.493595 0.996066 0.922402 O\n0.905235 0.197131 0.422826 O\n0.920292 0.696404 0.162213 O\n0.614457 0.035655 0.581803 O\n0.819394 0.926703 0.323512 O\n0.896151 0.843201 0.752514 O\n0.009179 0.837813 0.082852 O\n0.976767 0.512645 0.225691 O\n0.396151 0.656799 0.747486 O\n0.245347 0.408698 0.253277 O\n0.214790 0.109591 0.555348 O\n0.365144 0.447688 0.657034 O\n0.811444 0.325880 0.642323 O\n0.670005 0.277226 0.872399 O\n0.405235 0.302869 0.077174 O\n0.993595 0.503934 0.577598 O\n0.188556 0.674120 0.357677 O\n0.274569 0.040101 0.806670 O\n0.254653 0.908698 0.753277 O\n0.714790 0.390409 0.944652 O\n0.860042 0.385203 0.521528 O\n0.477381 0.219510 0.195783 O\n0.319394 0.573297 0.176488 O\n0.141489 0.335297 0.708004 O\n0.089578 0.896113 0.901414 O\n0.152084 0.956793 0.509735 O\n0.335308 0.802571 0.673542 O\n0.910422 0.103887 0.098586 O\n0.360042 0.114797 0.978472 O\n0.509179 0.662187 0.417148 O\n0.680606 0.426703 0.823512 O\n0.488512 0.901912 0.540241 O\n0.134856 0.947688 0.157034 O\n0.169679 0.992711 0.032791 O\n",
            "nsites": 168,
            "nelements": 3,
            "elements": [
                "Pr",
                "Se",
                "O"
            ],
            "chemical_system": "O-Pr-Se",
            "density": 5.017764795664345,
            "density_atomic": 0.06383794331965564,
            "volume": 2631.6637294966386,
            "volume_molar": 9.433481792866262,
            "formula_full": "Pr24 Se36 O108",
            "formula_reduced": "Pr2(SeO3)3",
            "formula_anonymous": "A2B3C9",
            "energy": -1159.64646464,
            "energy_per_atom": -6.902657527619048,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1085.45046464,
            "band_gap": 3.4481,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0002514,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:27.909000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-759981",
            "created_at": "2022-09-04T14:46:15.237309Z",
            "structure_string": "Na4 Cu4 P12 O36\n1.0\n9.711763 0.000000 0.000000\n-3.623211 9.026445 0.000000\n-2.628433 -4.109432 8.485399\nNa Cu P O\n4 4 12 36\ndirect\n0.933623 0.344250 0.506314 Na\n0.171708 0.379984 0.314595 Na\n0.828292 0.620016 0.685405 Na\n0.066377 0.655750 0.493686 Na\n0.232048 0.745979 0.275916 Cu\n0.294095 0.102463 0.212783 Cu\n0.705905 0.897537 0.787217 Cu\n0.767952 0.254021 0.724084 Cu\n0.916452 0.816444 0.081209 P\n0.851080 0.489681 0.098302 P\n0.601005 0.983945 0.351889 P\n0.782005 0.040019 0.153550 P\n0.656736 0.424725 0.290008 P\n0.568153 0.689177 0.409247 P\n0.431847 0.310823 0.590753 P\n0.343264 0.575275 0.709992 P\n0.217995 0.959981 0.846450 P\n0.398995 0.016055 0.648111 P\n0.148920 0.510319 0.901698 P\n0.083548 0.183556 0.918791 P\n0.277366 0.973328 0.010539 O\n0.825765 0.638153 0.080708 O\n0.821200 0.893941 0.160993 O\n0.625701 0.988805 0.198147 O\n0.701913 0.401029 0.139401 O\n0.179107 0.633931 0.054047 O\n0.096130 0.904308 0.193880 O\n0.425326 0.941571 0.317556 O\n0.636659 0.838966 0.362225 O\n0.609085 0.568297 0.295447 O\n0.918586 0.201940 0.280599 O\n0.130751 0.201178 0.084090 O\n0.511322 0.267101 0.247686 O\n0.807122 0.488557 0.435271 O\n0.387159 0.617413 0.356933 O\n0.015338 0.560561 0.236776 O\n0.678844 0.745699 0.579522 O\n0.271290 0.858049 0.502944 O\n0.728710 0.141951 0.497056 O\n0.321156 0.254301 0.420478 O\n0.984662 0.439439 0.763224 O\n0.612841 0.382587 0.643067 O\n0.192878 0.511443 0.564729 O\n0.488678 0.732899 0.752314 O\n0.869249 0.798822 0.915910 O\n0.081414 0.798060 0.719401 O\n0.390915 0.431703 0.704553 O\n0.363341 0.161034 0.637775 O\n0.574674 0.058429 0.682444 O\n0.903870 0.095692 0.806120 O\n0.820893 0.366069 0.945953 O\n0.298087 0.598971 0.860599 O\n0.374299 0.011195 0.801853 O\n0.178800 0.106059 0.839007 O\n0.174235 0.361847 0.919292 O\n0.722634 0.026672 0.989461 O\n",
            "nsites": 56,
            "nelements": 4,
            "elements": [
                "Na",
                "Cu",
                "P",
                "O"
            ],
            "chemical_system": "Cu-Na-O-P",
            "density": 2.8882273914285976,
            "density_atomic": 0.07528369778981192,
            "volume": 743.8529408630939,
            "volume_molar": 7.999262704674122,
            "formula_full": "Na4 Cu4 P12 O36",
            "formula_reduced": "NaCu(PO3)3",
            "formula_anonymous": "ABC3D9",
            "energy": -397.39210653,
            "energy_per_atom": -7.0962876166071425,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -372.66010653,
            "band_gap": 0.4566000000000001,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 3.9993547,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:29.452000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-3082",
            "created_at": "2022-09-04T14:46:15.256747Z",
            "structure_string": "Ca3 S3 O12\n1.0\n3.525391 -6.106157 0.000000\n3.525391 6.106157 0.000000\n0.000000 0.000000 6.360662\nCa S O\n3 3 12\ndirect\n0.000000 0.500000 0.666667 Ca\n0.500000 0.500000 0.333333 Ca\n0.500000 0.000000 0.000000 Ca\n0.000000 0.500000 0.166667 S\n0.500000 0.500000 0.833333 S\n0.500000 0.000000 0.500000 S\n0.447032 0.311204 0.974351 O\n0.688796 0.135828 0.641018 O\n0.864172 0.552968 0.307685 O\n0.135828 0.447032 0.307685 O\n0.552968 0.864172 0.358982 O\n0.552968 0.688796 0.974351 O\n0.447032 0.135828 0.358982 O\n0.311204 0.447032 0.692315 O\n0.135828 0.688796 0.025649 O\n0.864172 0.311204 0.025649 O\n0.688796 0.552968 0.692315 O\n0.311204 0.864172 0.641018 O\n",
            "nsites": 18,
            "nelements": 3,
            "elements": [
                "Ca",
                "S",
                "O"
            ],
            "chemical_system": "Ca-O-S",
            "density": 2.476569046742005,
            "density_atomic": 0.06573019689861843,
            "volume": 273.8467378663571,
            "volume_molar": 9.161908900544582,
            "formula_full": "Ca3 S3 O12",
            "formula_reduced": "CaSO4",
            "formula_anonymous": "ABC4",
            "energy": -125.79565814999998,
            "energy_per_atom": -6.988647674999999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -117.55165815,
            "band_gap": 5.684,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0007785,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:32.750000Z",
            "spacegroup": 180
        }
    ]
}