GET /third-parties/MatprojStructure/?format=api&ordering=energy_above_hull&page=29
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=energy_above_hull&page=30",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_above_hull&page=28",
    "results": [
        {
            "id": "mp-579496",
            "created_at": "2022-09-04T14:40:18.890648Z",
            "structure_string": "Fe3 Pt1 N1\n1.0\n3.859881 0.000000 0.000000\n0.000000 3.859881 0.000000\n0.000000 0.000000 3.859881\nFe Pt N\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 0.500000 N\n",
            "nsites": 5,
            "nelements": 3,
            "elements": [
                "Fe",
                "Pt",
                "N"
            ],
            "chemical_system": "Fe-N-Pt",
            "density": 10.875201251312658,
            "density_atomic": 0.08694572987367244,
            "volume": 57.5071370067827,
            "volume_molar": 6.9263214751890105,
            "formula_full": "Fe3 Pt1 N1",
            "formula_reduced": "Fe3PtN",
            "formula_anonymous": "ABC3",
            "energy": -41.07612406999999,
            "energy_per_atom": -8.215224813999999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -40.71512407,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 8.0705807,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:59.815000Z",
            "spacegroup": 221
        },
        {
            "id": "mp-8333",
            "created_at": "2022-09-04T14:40:18.891947Z",
            "structure_string": "Rb8 Na8 Sn8 F48\n1.0\n8.337377 0.000000 0.000000\n0.000000 11.172238 0.000000\n0.000000 0.000000 13.384590\nRb Na Sn F\n8 8 8 48\ndirect\n0.500000 0.750000 0.575035 Rb\n0.000000 0.250000 0.924965 Rb\n0.500000 0.250000 0.424965 Rb\n0.000000 0.750000 0.075035 Rb\n0.000000 0.750000 0.631483 Rb\n0.500000 0.250000 0.868517 Rb\n0.000000 0.250000 0.368517 Rb\n0.500000 0.750000 0.131483 Rb\n0.754975 0.075077 0.642539 Na\n0.254975 0.924923 0.857461 Na\n0.745025 0.575077 0.857461 Na\n0.245025 0.424923 0.642539 Na\n0.245025 0.924923 0.357461 Na\n0.745025 0.075077 0.142539 Na\n0.254975 0.424923 0.142539 Na\n0.754975 0.575077 0.357461 Na\n0.751050 0.425410 0.135136 Sn\n0.251050 0.574590 0.364864 Sn\n0.748950 0.925410 0.364864 Sn\n0.248950 0.074590 0.135136 Sn\n0.248950 0.574590 0.864864 Sn\n0.748950 0.425410 0.635136 Sn\n0.251050 0.074590 0.635136 Sn\n0.751050 0.925410 0.864864 Sn\n0.710464 0.876439 0.722325 F\n0.210464 0.123561 0.777675 F\n0.789536 0.376439 0.777675 F\n0.289536 0.623561 0.722325 F\n0.289536 0.123561 0.277675 F\n0.789536 0.876439 0.222325 F\n0.210464 0.623561 0.222325 F\n0.710464 0.376439 0.277675 F\n0.811398 0.978434 0.002346 F\n0.311398 0.021566 0.497654 F\n0.688602 0.478434 0.497654 F\n0.188602 0.521566 0.002346 F\n0.188602 0.021566 0.997654 F\n0.688602 0.978434 0.502346 F\n0.311398 0.521566 0.502346 F\n0.811398 0.478434 0.997654 F\n0.981101 0.883514 0.839760 F\n0.521391 0.970461 0.883945 F\n0.481101 0.116486 0.660240 F\n0.018899 0.616486 0.839760 F\n0.018899 0.116486 0.160240 F\n0.518899 0.883514 0.339760 F\n0.481101 0.616486 0.339760 F\n0.981101 0.383514 0.160240 F\n0.788218 0.762248 0.423723 F\n0.288218 0.237752 0.076277 F\n0.711782 0.262248 0.076277 F\n0.211782 0.737752 0.423723 F\n0.211782 0.237752 0.576277 F\n0.711782 0.762248 0.923723 F\n0.288218 0.737752 0.923723 F\n0.788218 0.262248 0.576277 F\n0.785292 0.594925 0.184432 F\n0.285292 0.405075 0.315568 F\n0.714708 0.094925 0.315568 F\n0.214708 0.905075 0.184432 F\n0.214708 0.405075 0.815568 F\n0.714708 0.594925 0.684432 F\n0.285292 0.905075 0.684432 F\n0.785292 0.094925 0.815568 F\n0.521391 0.470461 0.116055 F\n0.021391 0.529539 0.383945 F\n0.978609 0.970461 0.383945 F\n0.478609 0.029539 0.116055 F\n0.478609 0.529539 0.883945 F\n0.978609 0.470461 0.616055 F\n0.021391 0.029539 0.616055 F\n0.518899 0.383514 0.660240 F\n",
            "nsites": 72,
            "nelements": 4,
            "elements": [
                "Rb",
                "Na",
                "Sn",
                "F"
            ],
            "chemical_system": "F-Na-Rb-Sn",
            "density": 3.6351299308669205,
            "density_atomic": 0.05775077349559515,
            "volume": 1246.736548134575,
            "volume_molar": 10.42780969930962,
            "formula_full": "Rb8 Na8 Sn8 F48",
            "formula_reduced": "RbNaSnF6",
            "formula_anonymous": "ABCD6",
            "energy": -359.63553784,
            "energy_per_atom": -4.994938025555555,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -337.45953784,
            "band_gap": 5.0417000000000005,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:47.223000Z",
            "spacegroup": 60
        },
        {
            "id": "mp-752710",
            "created_at": "2022-09-04T14:40:18.893452Z",
            "structure_string": "Li6 Cr2 B8 O18\n1.0\n8.543803 0.000000 0.000000\n0.000000 5.892676 0.000000\n0.000000 1.551649 6.522376\nLi Cr B O\n6 2 8 18\ndirect\n0.435605 0.762081 0.160080 Li\n0.064395 0.762081 0.160080 Li\n0.750000 0.585691 0.501875 Li\n0.250000 0.414309 0.498125 Li\n0.935605 0.237919 0.839920 Li\n0.564395 0.237919 0.839920 Li\n0.750000 0.751643 0.887012 Cr\n0.250000 0.248357 0.112988 Cr\n0.750000 0.998380 0.231283 B\n0.250000 0.863944 0.458836 B\n0.457419 0.717276 0.716741 B\n0.042581 0.717276 0.716741 B\n0.957419 0.282724 0.283259 B\n0.542581 0.282724 0.283259 B\n0.750000 0.136056 0.541164 B\n0.250000 0.001620 0.768717 B\n0.395860 0.854337 0.842790 O\n0.104140 0.854337 0.842790 O\n0.750000 0.933418 0.453738 O\n0.250000 0.919828 0.236029 O\n0.389451 0.709557 0.532109 O\n0.110549 0.709557 0.532109 O\n0.750000 0.788360 0.155178 O\n0.911075 0.582945 0.778245 O\n0.588925 0.582945 0.778245 O\n0.088925 0.417055 0.221755 O\n0.411075 0.417055 0.221755 O\n0.250000 0.211640 0.844822 O\n0.889451 0.290443 0.467891 O\n0.610549 0.290443 0.467891 O\n0.750000 0.080172 0.763971 O\n0.250000 0.066582 0.546262 O\n0.895860 0.145663 0.157210 O\n0.604140 0.145663 0.157210 O\n",
            "nsites": 34,
            "nelements": 4,
            "elements": [
                "Li",
                "Cr",
                "B",
                "O"
            ],
            "chemical_system": "B-Cr-Li-O",
            "density": 2.630141963293301,
            "density_atomic": 0.10354027093316112,
            "volume": 328.37464779233767,
            "volume_molar": 5.816230444179061,
            "formula_full": "Li6 Cr2 B8 O18",
            "formula_reduced": "Li3CrB4O9",
            "formula_anonymous": "AB3C4D9",
            "energy": -262.34449083,
            "energy_per_atom": -7.71601443617647,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -245.98049083,
            "band_gap": 1.7649,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 5.9995679,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:51.134000Z",
            "spacegroup": 11
        },
        {
            "id": "mp-776277",
            "created_at": "2022-09-04T14:40:18.919677Z",
            "structure_string": "Li12 Mn6 P16 O58\n1.0\n9.727401 0.000000 0.000000\n-4.845783 -8.442503 0.000000\n-0.005945 0.000332 -13.920226\nLi Mn P O\n12 6 16 58\ndirect\n0.988736 0.031214 0.491273 Li\n0.335445 0.101838 0.437898 Li\n0.775331 0.098053 0.941791 Li\n0.762763 0.664921 0.437074 Li\n0.092802 0.316428 0.062491 Li\n0.907379 0.678124 0.940750 Li\n0.234343 0.337899 0.558326 Li\n0.098121 0.763773 0.558747 Li\n0.331664 0.664111 0.885157 Li\n0.225003 0.915255 0.062988 Li\n0.682012 0.773737 0.063969 Li\n0.664701 0.904650 0.558779 Li\n0.434844 0.001343 0.250390 Mn\n0.567214 0.000382 0.749250 Mn\n0.431511 0.431588 0.750673 Mn\n0.564710 0.563206 0.248797 Mn\n0.998718 0.431912 0.252305 Mn\n0.000588 0.565424 0.747606 Mn\n0.318282 0.088671 0.659866 P\n0.319891 0.230990 0.158777 P\n0.768119 0.090376 0.160710 P\n0.666867 0.334382 0.869703 P\n0.668075 0.333858 0.370029 P\n0.913484 0.226198 0.659117 P\n0.092196 0.322643 0.842476 P\n0.768546 0.679797 0.658593 P\n0.228439 0.318299 0.341078 P\n0.909515 0.675750 0.159277 P\n0.089128 0.770798 0.340799 P\n0.332301 0.666450 0.128588 P\n0.333970 0.666843 0.626910 P\n0.231111 0.908531 0.842525 P\n0.677501 0.768059 0.841447 P\n0.682449 0.908867 0.341872 P\n0.210730 0.999851 0.751870 O\n0.238787 0.988817 0.934273 O\n0.337422 0.080843 0.159469 O\n0.212644 0.204195 0.254146 O\n0.224828 0.231114 0.433171 O\n0.334896 0.255251 0.659688 O\n0.479443 0.097899 0.672035 O\n0.508618 0.185465 0.335360 O\n0.620696 0.106310 0.176760 O\n0.770779 0.983227 0.433595 O\n0.792130 0.999917 0.250570 O\n0.744173 0.079809 0.659351 O\n0.515731 0.328094 0.828746 O\n0.483580 0.378461 0.174680 O\n0.672670 0.183099 0.835333 O\n0.673855 0.338470 0.977446 O\n0.662731 0.338185 0.477785 O\n0.810788 0.322085 0.330407 O\n0.616720 0.521141 0.671798 O\n0.676820 0.491251 0.332322 O\n0.919555 0.254980 0.159819 O\n0.993290 0.206616 0.756285 O\n0.003175 0.251584 0.933763 O\n0.003446 0.212782 0.575404 O\n0.908048 0.380412 0.668379 O\n0.818413 0.488637 0.832579 O\n0.081909 0.337982 0.338886 O\n0.895416 0.514355 0.176686 O\n0.744561 0.663031 0.158622 O\n0.232287 0.235637 0.072696 O\n0.753258 0.754009 0.932009 O\n0.788989 0.788852 0.751253 O\n0.257207 0.338593 0.840754 O\n0.115906 0.491345 0.823290 O\n0.918656 0.663203 0.658674 O\n0.184650 0.510802 0.164990 O\n0.098239 0.619189 0.329031 O\n0.002771 0.773986 0.431034 O\n0.997503 0.754940 0.068498 O\n0.000076 0.791450 0.249152 O\n0.079687 0.741804 0.839361 O\n0.321185 0.508706 0.664783 O\n0.382312 0.477957 0.328857 O\n0.188440 0.680149 0.664242 O\n0.333074 0.667611 0.019811 O\n0.334240 0.667108 0.519124 O\n0.324947 0.814743 0.165463 O\n0.508837 0.625624 0.824103 O\n0.489257 0.674807 0.164499 O\n0.255696 0.919988 0.341069 O\n0.231361 0.003602 0.569166 O\n0.375959 0.884569 0.823513 O\n0.491866 0.812386 0.664562 O\n0.523709 0.904784 0.330150 O\n0.661768 0.740449 0.337663 O\n0.771619 0.768890 0.568771 O\n0.664901 0.920326 0.842591 O\n0.758080 0.002150 0.069468 O\n",
            "nsites": 92,
            "nelements": 4,
            "elements": [
                "Li",
                "Mn",
                "P",
                "O"
            ],
            "chemical_system": "Li-Mn-O-P",
            "density": 2.6675807848999815,
            "density_atomic": 0.08047731862475352,
            "volume": 1143.179240712206,
            "volume_molar": 7.4830285885639425,
            "formula_full": "Li12 Mn6 P16 O58",
            "formula_reduced": "Li6Mn3P8O29",
            "formula_anonymous": "A3B6C8D29",
            "energy": -682.3827174200001,
            "energy_per_atom": -7.417203450217392,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -632.52871742,
            "band_gap": 0.6261999999999999,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 17.9989716,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:02.540000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-772148",
            "created_at": "2022-09-04T14:40:18.922543Z",
            "structure_string": "Li4 Mn5 Nb3 O16\n1.0\n6.137945 0.000000 0.000000\n-3.036859 5.355294 0.000000\n-0.020028 -0.078137 9.963619\nLi Mn Nb O\n4 5 3 16\ndirect\n0.344342 0.675597 0.895143 Li\n0.002749 0.000251 0.004757 Li\n0.019630 0.006168 0.495388 Li\n0.674701 0.341159 0.376488 Li\n0.163352 0.829013 0.212354 Mn\n0.310168 0.654441 0.490830 Mn\n0.164847 0.334491 0.215766 Mn\n0.334548 0.167651 0.717868 Mn\n0.651375 0.324518 0.011111 Mn\n0.651213 0.829074 0.218700 Nb\n0.826811 0.659515 0.714932 Nb\n0.828275 0.167219 0.714806 Nb\n0.146178 0.835370 0.608158 O\n0.043186 0.527559 0.320903 O\n0.357539 0.698870 0.096291 O\n0.984317 0.968296 0.316092 O\n0.973638 0.987220 0.821128 O\n0.143588 0.307848 0.605033 O\n0.492315 0.970689 0.333178 O\n0.478617 0.513714 0.326872 O\n0.302420 0.146120 0.113133 O\n0.683469 0.841416 0.602945 O\n0.530489 0.493900 0.831169 O\n0.533825 0.041250 0.831371 O\n0.696808 0.349807 0.597241 O\n0.837802 0.683109 0.102616 O\n0.976637 0.487880 0.823967 O\n0.847158 0.158157 0.109596 O\n",
            "nsites": 28,
            "nelements": 4,
            "elements": [
                "Li",
                "Mn",
                "Nb",
                "O"
            ],
            "chemical_system": "Li-Mn-Nb-O",
            "density": 4.24459342621321,
            "density_atomic": 0.08549379756455226,
            "volume": 327.50913864667837,
            "volume_molar": 7.043950475416619,
            "formula_full": "Li4 Mn5 Nb3 O16",
            "formula_reduced": "Li4Mn5Nb3O16",
            "formula_anonymous": "A3B4C5D16",
            "energy": -231.28608033,
            "energy_per_atom": -8.260217154642858,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -211.95408033,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 22.000685,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:52.467000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-780360",
            "created_at": "2022-09-04T14:40:18.953363Z",
            "structure_string": "Na32 Gd8 O28\n1.0\n11.699956 0.000000 0.000000\n0.000000 9.228651 0.000000\n0.000000 3.441065 10.368079\nNa Gd O\n32 8 28\ndirect\n0.523112 0.870993 0.933763 Na\n0.531871 0.913855 0.638654 Na\n0.265037 0.892937 0.534327 Na\n0.976888 0.870993 0.433763 Na\n0.049015 0.748368 0.701051 Na\n0.968129 0.913855 0.138654 Na\n0.742154 0.716295 0.571936 Na\n0.234963 0.892937 0.034327 Na\n0.532207 0.557602 0.844630 Na\n0.496393 0.658108 0.521542 Na\n0.450985 0.748368 0.201051 Na\n0.771690 0.501479 0.872582 Na\n0.757846 0.716295 0.071936 Na\n0.271690 0.498521 0.627418 Na\n0.967793 0.557602 0.344630 Na\n0.996393 0.341892 0.978458 Na\n0.003607 0.658108 0.021542 Na\n0.032207 0.442398 0.655370 Na\n0.728310 0.501479 0.372582 Na\n0.242154 0.283705 0.928064 Na\n0.228310 0.498521 0.127418 Na\n0.549015 0.251632 0.798949 Na\n0.503607 0.341892 0.478458 Na\n0.467793 0.442398 0.155370 Na\n0.765037 0.107063 0.965673 Na\n0.257846 0.283705 0.428064 Na\n0.031871 0.086145 0.861346 Na\n0.950985 0.251632 0.298949 Na\n0.023112 0.129007 0.566237 Na\n0.734963 0.107063 0.465673 Na\n0.468129 0.086145 0.361346 Na\n0.476888 0.129007 0.066237 Na\n0.792978 0.903677 0.777269 Gd\n0.707022 0.903677 0.277269 Gd\n0.279714 0.682779 0.852719 Gd\n0.220286 0.682779 0.352719 Gd\n0.779714 0.317221 0.647281 Gd\n0.720286 0.317221 0.147281 Gd\n0.292978 0.096323 0.722731 Gd\n0.207022 0.096323 0.222731 Gd\n0.889038 0.899157 0.949686 O\n0.179424 0.894625 0.781308 O\n0.889583 0.891350 0.612072 O\n0.610962 0.899157 0.449686 O\n0.668250 0.728452 0.826570 O\n0.320576 0.894625 0.281308 O\n0.610417 0.891350 0.112072 O\n0.385317 0.667936 0.694384 O\n0.831750 0.728452 0.326570 O\n0.143515 0.518616 0.910602 O\n0.116746 0.675514 0.521952 O\n0.114683 0.667936 0.194384 O\n0.356485 0.518616 0.410602 O\n0.616746 0.324486 0.978048 O\n0.383254 0.675514 0.021952 O\n0.643515 0.481384 0.589398 O\n0.885317 0.332064 0.805616 O\n0.883254 0.324486 0.478048 O\n0.856485 0.481384 0.089398 O\n0.168250 0.271548 0.673430 O\n0.614683 0.332064 0.305616 O\n0.389583 0.108650 0.887928 O\n0.679424 0.105375 0.718692 O\n0.331750 0.271548 0.173430 O\n0.389038 0.100843 0.550314 O\n0.110417 0.108650 0.387928 O\n0.820576 0.105375 0.218692 O\n0.110962 0.100843 0.050314 O\n",
            "nsites": 68,
            "nelements": 3,
            "elements": [
                "Na",
                "Gd",
                "O"
            ],
            "chemical_system": "Gd-Na-O",
            "density": 3.6217026694332155,
            "density_atomic": 0.06074187083666501,
            "volume": 1119.4913667188835,
            "volume_molar": 9.914315573508672,
            "formula_full": "Na32 Gd8 O28",
            "formula_reduced": "Na8Gd2O7",
            "formula_anonymous": "A2B7C8",
            "energy": -438.35244296,
            "energy_per_atom": -6.446359455294118,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -419.11644296,
            "band_gap": 1.8545000000000005,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 56.0000004,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:55.908000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-981933",
            "created_at": "2022-09-04T14:40:29.316651Z",
            "structure_string": "Na1 Pd2 Pb1\n1.0\n0.000000 3.361600 3.361600\n3.361600 0.000000 3.361600\n3.361600 3.361600 0.000000\nNa Pd Pb\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Na\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n0.000000 0.000000 0.000000 Pb\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Na",
                "Pd",
                "Pb"
            ],
            "chemical_system": "Na-Pb-Pd",
            "density": 9.68308861067839,
            "density_atomic": 0.052649213816921045,
            "volume": 75.97454377779201,
            "volume_molar": 11.438234920166142,
            "formula_full": "Na1 Pd2 Pb1",
            "formula_reduced": "NaPd2Pb",
            "formula_anonymous": "ABC2",
            "energy": -16.33031032,
            "energy_per_atom": -4.08257758,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -16.33031032,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0021895,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:52.568000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-12175",
            "created_at": "2022-09-04T14:40:18.879221Z",
            "structure_string": "Y20 Pt16\n1.0\n7.536931 0.000000 0.000000\n0.000000 7.607294 0.000000\n0.000000 0.000000 14.745982\nY Pt\n20 16\ndirect\n0.681387 0.988221 0.250000 Y\n0.181387 0.511779 0.250000 Y\n0.818613 0.488221 0.750000 Y\n0.318613 0.011779 0.750000 Y\n0.656300 0.833269 0.622342 Y\n0.156300 0.666731 0.877658 Y\n0.843700 0.333269 0.377658 Y\n0.343700 0.166731 0.122342 Y\n0.343700 0.166731 0.377658 Y\n0.843700 0.333269 0.122342 Y\n0.156300 0.666731 0.622342 Y\n0.656300 0.833269 0.877658 Y\n0.997834 0.819259 0.406925 Y\n0.497834 0.680741 0.093075 Y\n0.502166 0.319259 0.593075 Y\n0.002166 0.180741 0.906925 Y\n0.002166 0.180741 0.593075 Y\n0.502166 0.319259 0.906925 Y\n0.497834 0.680741 0.406925 Y\n0.997834 0.819259 0.093075 Y\n0.815061 0.641165 0.250000 Pt\n0.315061 0.858835 0.250000 Pt\n0.684939 0.141165 0.750000 Pt\n0.184939 0.358835 0.750000 Pt\n0.547268 0.387676 0.250000 Pt\n0.047268 0.112324 0.250000 Pt\n0.952732 0.887676 0.750000 Pt\n0.452732 0.612324 0.750000 Pt\n0.817035 0.532107 0.541886 Pt\n0.317035 0.967893 0.958114 Pt\n0.682965 0.032107 0.458114 Pt\n0.182965 0.467893 0.041886 Pt\n0.182965 0.467893 0.458114 Pt\n0.682965 0.032107 0.041886 Pt\n0.317035 0.967893 0.541886 Pt\n0.817035 0.532107 0.958114 Pt\n",
            "nsites": 36,
            "nelements": 2,
            "elements": [
                "Y",
                "Pt"
            ],
            "chemical_system": "Pt-Y",
            "density": 9.622744680951259,
            "density_atomic": 0.042579843527792385,
            "volume": 845.470462485433,
            "volume_molar": 14.143172593082157,
            "formula_full": "Y20 Pt16",
            "formula_reduced": "Y5Pt4",
            "formula_anonymous": "A4B5",
            "energy": -267.55085226,
            "energy_per_atom": -7.431968118333334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -267.55085226,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0538686,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:54.501000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-406",
            "created_at": "2022-09-04T14:40:18.881490Z",
            "structure_string": "Cd1 Te1\n1.0\n0.000000 3.314524 3.314524\n3.314524 0.000000 3.314524\n3.314524 3.314524 0.000000\nCd Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.750000 0.750000 0.750000 Te\n",
            "nsites": 2,
            "nelements": 2,
            "elements": [
                "Cd",
                "Te"
            ],
            "chemical_system": "Cd-Te",
            "density": 5.472512271905128,
            "density_atomic": 0.02746227399879926,
            "volume": 72.82718102978095,
            "volume_molar": 21.928776765767132,
            "formula_full": "Cd1 Te1",
            "formula_reduced": "CdTe",
            "formula_anonymous": "AB",
            "energy": -5.404786929999999,
            "energy_per_atom": -2.7023934649999997,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -4.98278693,
            "band_gap": 0.5846000000000002,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0016615,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:52.026000Z",
            "spacegroup": 216
        },
        {
            "id": "mp-1220501",
            "created_at": "2022-09-04T14:40:18.882255Z",
            "structure_string": "Nb4 C3\n1.0\n10.329235 -1.577982 0.000000\n10.329235 1.577982 0.000000\n10.088169 0.000000 2.722494\nNb C\n4 3\ndirect\n0.373606 0.373606 0.373606 Nb\n0.624956 0.624956 0.624956 Nb\n0.208878 0.208878 0.208878 Nb\n0.794338 0.794338 0.794338 Nb\n0.503173 0.503173 0.503173 C\n0.995798 0.995798 0.995798 C\n0.084250 0.084250 0.084250 C\n",
            "nsites": 7,
            "nelements": 2,
            "elements": [
                "Nb",
                "C"
            ],
            "chemical_system": "C-Nb",
            "density": 7.6274177311197615,
            "density_atomic": 0.07887346312721358,
            "volume": 88.74974829886482,
            "volume_molar": 7.635192523861921,
            "formula_full": "Nb4 C3",
            "formula_reduced": "Nb4C3",
            "formula_anonymous": "A3B4",
            "energy": -71.16662716,
            "energy_per_atom": -10.166661022857143,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -71.16662716,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0066255,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:55.454000Z",
            "spacegroup": 160
        },
        {
            "id": "mp-787551",
            "created_at": "2022-09-04T14:40:18.883303Z",
            "structure_string": "Na10 Li2 V12 O36\n1.0\n10.346801 0.000000 0.000000\n-0.076433 11.188200 0.000000\n-2.830931 -1.802817 7.369206\nNa Li V O\n10 2 12 36\ndirect\n0.139496 0.054840 0.944698 Na\n0.442599 0.153721 0.846371 Na\n0.890924 0.179904 0.820519 Na\n0.472769 0.387861 0.612604 Na\n0.223028 0.513086 0.487576 Na\n0.526172 0.611852 0.388092 Na\n0.777285 0.486699 0.513602 Na\n0.109220 0.820000 0.179564 Na\n0.807666 0.722336 0.277697 Na\n0.557320 0.846404 0.152531 Na\n0.189829 0.280067 0.719902 Li\n0.856343 0.946944 0.053215 Li\n0.357607 0.737319 0.841013 V\n0.021610 0.823166 0.598736 V\n0.689049 0.489596 0.931775 V\n0.648247 0.847874 0.739084 V\n0.975629 0.592067 0.824951 V\n0.306716 0.928570 0.492967 V\n0.024376 0.403559 0.174930 V\n0.692101 0.073471 0.509050 V\n0.354495 0.153369 0.264165 V\n0.980591 0.180018 0.403083 V\n0.311599 0.511801 0.066250 V\n0.643642 0.256383 0.156800 V\n0.008863 0.786783 0.963639 O\n0.271782 0.876749 0.830380 O\n0.515819 0.861334 0.841518 O\n0.774831 0.880538 0.840575 O\n0.064936 0.453606 0.831385 O\n0.285243 0.313066 0.931638 O\n0.658882 0.301606 0.995776 O\n0.560129 0.457364 0.835588 O\n0.315138 0.538695 0.706418 O\n0.817741 0.467640 0.823315 O\n0.149479 0.801510 0.489661 O\n0.394471 0.791569 0.504484 O\n0.623698 0.646765 0.607555 O\n0.050203 0.028830 0.726197 O\n0.325024 0.966641 0.328909 O\n0.991928 0.635772 0.663286 O\n0.892758 0.790708 0.502224 O\n0.652679 0.879197 0.370888 O\n0.340741 0.123675 0.631263 O\n0.106783 0.210334 0.504482 O\n0.676174 0.033642 0.672867 O\n0.009782 0.368673 0.340440 O\n0.954225 0.981684 0.267910 O\n0.378688 0.355168 0.394855 O\n0.605546 0.211959 0.498119 O\n0.849822 0.196101 0.508359 O\n0.182260 0.526811 0.174003 O\n0.681877 0.450620 0.295231 O\n0.439910 0.541138 0.162874 O\n0.341733 0.702656 0.006077 O\n0.717105 0.695045 0.059518 O\n0.938860 0.543216 0.163804 O\n0.226100 0.122508 0.167554 O\n0.484965 0.135832 0.157581 O\n0.731718 0.116370 0.162411 O\n0.981797 0.205291 0.040038 O\n",
            "nsites": 60,
            "nelements": 4,
            "elements": [
                "Na",
                "Li",
                "V",
                "O"
            ],
            "chemical_system": "Li-Na-O-V",
            "density": 2.785599910918138,
            "density_atomic": 0.0703338248785226,
            "volume": 853.0746067575492,
            "volume_molar": 8.562225601126013,
            "formula_full": "Na10 Li2 V12 O36",
            "formula_reduced": "Na5LiV6O18",
            "formula_anonymous": "AB5C6D18",
            "energy": -336.16355069,
            "energy_per_atom": -5.6027258448333335,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -291.03155069,
            "band_gap": 0.4948000000000001,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.0009275,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:52.261000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-608366",
            "created_at": "2022-09-04T14:40:17.868509Z",
            "structure_string": "Cu4 N24\n1.0\n3.117961 0.000000 0.000000\n0.000000 9.188912 0.000000\n0.000000 0.000000 13.601338\nCu N\n4 24\ndirect\n0.750000 0.080840 0.104405 Cu\n0.250000 0.919160 0.895595 Cu\n0.750000 0.419160 0.604405 Cu\n0.250000 0.580840 0.395595 Cu\n0.250000 0.260470 0.969375 N\n0.750000 0.329917 0.187759 N\n0.250000 0.503436 0.678696 N\n0.250000 0.347697 0.522235 N\n0.250000 0.140293 0.416909 N\n0.250000 0.996564 0.178696 N\n0.750000 0.760470 0.530625 N\n0.250000 0.589561 0.746858 N\n0.250000 0.152303 0.022235 N\n0.250000 0.670083 0.812241 N\n0.750000 0.003436 0.821304 N\n0.750000 0.640293 0.083091 N\n0.750000 0.739530 0.030625 N\n0.250000 0.910439 0.246858 N\n0.750000 0.859707 0.583091 N\n0.250000 0.829917 0.312241 N\n0.750000 0.847697 0.977765 N\n0.750000 0.170083 0.687759 N\n0.750000 0.089561 0.753142 N\n0.750000 0.410439 0.253142 N\n0.250000 0.359707 0.916909 N\n0.750000 0.496564 0.321304 N\n0.750000 0.652303 0.477765 N\n0.250000 0.239530 0.469375 N\n",
            "nsites": 28,
            "nelements": 2,
            "elements": [
                "Cu",
                "N"
            ],
            "chemical_system": "Cu-N",
            "density": 2.5155817500439244,
            "density_atomic": 0.07185245760173255,
            "volume": 389.6874363741296,
            "volume_molar": 8.381259265173403,
            "formula_full": "Cu4 N24",
            "formula_reduced": "CuN6",
            "formula_anonymous": "AB6",
            "energy": -206.97495058,
            "energy_per_atom": -7.391962520714286,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -198.31095058,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.1058275,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:48.839000Z",
            "spacegroup": 62
        }
    ]
}