GET /third-parties/MatprojStructure/?format=api&ordering=total_magnetization&page=2
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=total_magnetization&page=3",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=total_magnetization",
    "results": [
        {
            "id": "mp-505147",
            "created_at": "2022-09-04T14:46:09.758996Z",
            "structure_string": "Cs12 Fe4 O10\n1.0\n-3.420358 6.461380 -0.382840\n0.087927 0.145443 14.939983\n7.310781 -0.024887 -0.382829\nCs Fe O\n12 4 10\ndirect\n0.644059 0.405812 0.644061 Cs\n0.644066 0.905818 0.644067 Cs\n0.355937 0.094181 0.355937 Cs\n0.355941 0.594187 0.355941 Cs\n0.241699 0.250000 0.758305 Cs\n0.241698 0.749997 0.758302 Cs\n0.758306 0.250000 0.241705 Cs\n0.758305 0.749998 0.241700 Cs\n0.786766 0.499999 0.213231 Cs\n0.786788 0.000000 0.213215 Cs\n0.213216 0.000000 0.786789 Cs\n0.213234 0.500001 0.786767 Cs\n0.803553 0.657359 0.803535 Fe\n0.196446 0.342647 0.196448 Fe\n0.803520 0.157349 0.803521 Fe\n0.196471 0.842670 0.196483 Fe\n0.999980 0.249995 0.999981 O\n0.000010 0.750004 0.000015 O\n0.167836 0.387538 0.429320 O\n0.167835 0.887546 0.429341 O\n0.570664 0.112447 0.832165 O\n0.570665 0.612456 0.832170 O\n0.832165 0.112451 0.570664 O\n0.832168 0.612457 0.570673 O\n0.429332 0.387542 0.167830 O\n0.429340 0.887546 0.167832 O\n",
            "nsites": 26,
            "nelements": 3,
            "elements": [
                "Cs",
                "Fe",
                "O"
            ],
            "chemical_system": "Cs-Fe-O",
            "density": 4.65767752363469,
            "density_atomic": 0.03686504894499709,
            "volume": 705.2750706717407,
            "volume_molar": 16.335637500400654,
            "formula_full": "Cs12 Fe4 O10",
            "formula_reduced": "Cs6Fe2O5",
            "formula_anonymous": "A2B5C6",
            "energy": -130.71847041,
            "energy_per_atom": -5.027633477307693,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -114.82447041,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:19.522000Z",
            "spacegroup": 12
        },
        {
            "id": "mp-768921",
            "created_at": "2022-09-04T14:46:07.923555Z",
            "structure_string": "Li32 B8 O28\n1.0\n9.227358 0.000000 0.000000\n0.000000 7.263655 0.000000\n0.000000 2.575030 8.006874\nLi B O\n32 8 28\ndirect\n0.525543 0.878771 0.931455 Li\n0.541426 0.915846 0.641031 Li\n0.260168 0.891731 0.533237 Li\n0.974457 0.878771 0.431455 Li\n0.059533 0.745000 0.715284 Li\n0.958574 0.915846 0.141031 Li\n0.750022 0.716601 0.569218 Li\n0.239832 0.891731 0.033237 Li\n0.530509 0.577215 0.859956 Li\n0.494942 0.655539 0.523818 Li\n0.440467 0.745000 0.215284 Li\n0.765741 0.498324 0.877105 Li\n0.749978 0.716601 0.069218 Li\n0.265741 0.501676 0.622895 Li\n0.969491 0.577215 0.359956 Li\n0.994942 0.344461 0.976182 Li\n0.005058 0.655539 0.023818 Li\n0.030509 0.422785 0.640044 Li\n0.734259 0.498324 0.377105 Li\n0.250022 0.283399 0.930782 Li\n0.234259 0.501676 0.122895 Li\n0.559533 0.255000 0.784716 Li\n0.505058 0.344461 0.476182 Li\n0.469491 0.422785 0.140044 Li\n0.760168 0.108269 0.966763 Li\n0.249978 0.283399 0.430782 Li\n0.041426 0.084154 0.858969 Li\n0.940467 0.255000 0.284716 Li\n0.025543 0.121229 0.568545 Li\n0.739832 0.108269 0.466763 Li\n0.458574 0.084154 0.358969 Li\n0.474457 0.121229 0.068545 Li\n0.800585 0.907155 0.774104 B\n0.699415 0.907155 0.274104 B\n0.288934 0.691840 0.845480 B\n0.211066 0.691840 0.345480 B\n0.788934 0.308160 0.654520 B\n0.711066 0.308160 0.154520 B\n0.300585 0.092845 0.725896 B\n0.199415 0.092845 0.225896 B\n0.889521 0.893860 0.925601 O\n0.215633 0.893653 0.784395 O\n0.889952 0.893549 0.632174 O\n0.610479 0.893860 0.425601 O\n0.681480 0.760832 0.814340 O\n0.284367 0.893653 0.284395 O\n0.610048 0.893549 0.132174 O\n0.378865 0.667849 0.707635 O\n0.818520 0.760832 0.314340 O\n0.160325 0.550770 0.891426 O\n0.116712 0.671674 0.497159 O\n0.121135 0.667849 0.207635 O\n0.339675 0.550770 0.391426 O\n0.616712 0.328326 0.002841 O\n0.383288 0.671674 0.997159 O\n0.660325 0.449230 0.608574 O\n0.878865 0.332151 0.792365 O\n0.883288 0.328326 0.502841 O\n0.839675 0.449230 0.108574 O\n0.181480 0.239168 0.685660 O\n0.621135 0.332151 0.292365 O\n0.389952 0.106451 0.867826 O\n0.715633 0.106347 0.715605 O\n0.318520 0.239168 0.185660 O\n0.389521 0.106140 0.574399 O\n0.110048 0.106451 0.367826 O\n0.784367 0.106347 0.215605 O\n0.110479 0.106140 0.074399 O\n",
            "nsites": 68,
            "nelements": 3,
            "elements": [
                "Li",
                "B",
                "O"
            ],
            "chemical_system": "B-Li-O",
            "density": 2.3410474571821913,
            "density_atomic": 0.12671071438206663,
            "volume": 536.6554859359552,
            "volume_molar": 4.752668935194886,
            "formula_full": "Li32 B8 O28",
            "formula_reduced": "Li8B2O7",
            "formula_anonymous": "A2B7C8",
            "energy": -417.86282343,
            "energy_per_atom": -6.145041521029412,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -398.62682343,
            "band_gap": 5.2822,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:22.268000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-782005",
            "created_at": "2022-09-04T14:46:09.250565Z",
            "structure_string": "Li6 Te1 O6\n1.0\n4.870250 -2.909733 0.000000\n4.870250 2.909733 0.000000\n3.131829 0.000000 4.730490\nLi Te O\n6 1 6\ndirect\n0.716994 0.078803 0.514812 Li\n0.921197 0.485188 0.283006 Li\n0.485188 0.283006 0.921197 Li\n0.514812 0.716994 0.078803 Li\n0.078803 0.514812 0.716994 Li\n0.283006 0.921197 0.485188 Li\n0.000000 0.000000 0.000000 Te\n0.896875 0.202382 0.653023 O\n0.797618 0.346977 0.103125 O\n0.346977 0.103125 0.797618 O\n0.653023 0.896875 0.202382 O\n0.202382 0.653023 0.896875 O\n0.103125 0.797618 0.346977 O\n",
            "nsites": 13,
            "nelements": 3,
            "elements": [
                "Li",
                "Te",
                "O"
            ],
            "chemical_system": "Li-O-Te",
            "density": 3.2851221873402427,
            "density_atomic": 0.09696228318940867,
            "volume": 134.0727504797454,
            "volume_molar": 6.210807503610647,
            "formula_full": "Li6 Te1 O6",
            "formula_reduced": "Li6TeO6",
            "formula_anonymous": "AB6C6",
            "energy": -71.25486321,
            "energy_per_atom": -5.481143323846154,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -67.13286321,
            "band_gap": 2.7973,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:23.029000Z",
            "spacegroup": 148
        },
        {
            "id": "mp-752907",
            "created_at": "2022-09-04T14:46:08.639041Z",
            "structure_string": "V4 F20\n1.0\n9.964081 0.000000 0.000000\n0.000000 5.581272 0.000000\n0.000000 0.003507 7.341841\nV F\n4 20\ndirect\n0.390064 0.983676 0.577066 V\n0.780326 0.515771 0.113765 V\n0.280326 0.484229 0.886235 V\n0.890064 0.016324 0.422934 V\n0.263352 0.987561 0.409216 F\n0.469576 0.973826 0.792516 F\n0.768536 0.778288 0.299323 F\n0.489430 0.765219 0.474985 F\n0.980984 0.774831 0.508718 F\n0.788473 0.729659 0.941166 F\n0.289411 0.725745 0.036196 F\n0.273028 0.726943 0.682812 F\n0.952287 0.524940 0.172693 F\n0.604939 0.517111 0.143829 F\n0.104939 0.482889 0.856171 F\n0.452287 0.475060 0.827307 F\n0.773028 0.273057 0.317188 F\n0.789411 0.274255 0.963804 F\n0.288473 0.270341 0.058834 F\n0.480984 0.225169 0.491282 F\n0.989430 0.234781 0.525015 F\n0.268536 0.221712 0.700677 F\n0.969576 0.026174 0.207484 F\n0.763352 0.012439 0.590784 F\n",
            "nsites": 24,
            "nelements": 2,
            "elements": [
                "V",
                "F"
            ],
            "chemical_system": "F-V",
            "density": 2.374043774544689,
            "density_atomic": 0.05878084559677367,
            "volume": 408.29626992159666,
            "volume_molar": 10.245073371878373,
            "formula_full": "V4 F20",
            "formula_reduced": "VF5",
            "formula_anonymous": "AB5",
            "energy": -141.82797157,
            "energy_per_atom": -5.909498815416666,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -125.78797157,
            "band_gap": 3.0875000000000004,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:28.816000Z",
            "spacegroup": 4
        },
        {
            "id": "mp-765342",
            "created_at": "2022-09-04T14:46:08.941308Z",
            "structure_string": "Li14 Ni2 O2 F14\n1.0\n0.000198 -2.073696 -2.072983\n-4.118616 10.376337 -10.372038\n6.171904 2.073012 0.000095\nLi Ni O F\n14 2 2 14\ndirect\n0.060494 0.181128 0.121293 Li\n0.560492 0.681098 0.121282 Li\n0.127879 0.369478 0.256123 Li\n0.627878 0.869434 0.256126 Li\n0.684716 0.070318 0.369779 Li\n0.184700 0.570312 0.369755 Li\n0.807289 0.435740 0.614864 Li\n0.307297 0.935722 0.614888 Li\n0.748983 0.248755 0.498290 Li\n0.248983 0.748706 0.498296 Li\n0.436866 0.307222 0.874238 Li\n0.936846 0.807165 0.874194 Li\n0.380177 0.129598 0.760851 Li\n0.880158 0.629580 0.760813 Li\n0.503312 0.509253 0.005484 Ni\n0.002808 0.009344 0.005448 Ni\n0.530643 0.092254 0.060751 O\n0.030771 0.592194 0.060707 O\n0.656844 0.464562 0.314084 F\n0.156750 0.964458 0.314248 F\n0.593677 0.283648 0.188506 F\n0.093687 0.783505 0.188500 F\n0.281829 0.343802 0.563678 F\n0.781806 0.843747 0.563716 F\n0.224972 0.157862 0.447917 F\n0.725106 0.657830 0.447952 F\n0.968949 0.406470 0.937179 F\n0.468757 0.906408 0.937123 F\n0.902979 0.222634 0.808551 F\n0.403166 0.722433 0.808265 F\n0.840591 0.027671 0.678566 F\n0.340586 0.527667 0.678541 F\n",
            "nsites": 32,
            "nelements": 4,
            "elements": [
                "Li",
                "Ni",
                "O",
                "F"
            ],
            "chemical_system": "F-Li-Ni-O",
            "density": 3.0051694014596118,
            "density_atomic": 0.11299114486979886,
            "volume": 283.20803401783394,
            "volume_molar": 5.3297457663070755,
            "formula_full": "Li14 Ni2 O2 F14",
            "formula_reduced": "Li7NiOF7",
            "formula_anonymous": "ABC7D7",
            "energy": -166.46386914,
            "energy_per_atom": -5.201995910625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -153.53986914,
            "band_gap": 3.1729000000000003,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:19.867000Z",
            "spacegroup": 8
        },
        {
            "id": "mp-759624",
            "created_at": "2022-09-04T14:46:08.750032Z",
            "structure_string": "Li12 Bi4 P8 O32\n1.0\n19.030472 0.000000 0.000000\n0.000000 5.096764 0.000000\n0.000000 4.984948 6.614777\nLi Bi P O\n12 4 8 32\ndirect\n0.701640 0.375092 0.826504 Li\n0.879636 0.731459 0.497586 Li\n0.045996 0.954211 0.315586 Li\n0.379636 0.268541 0.002414 Li\n0.545996 0.045789 0.184414 Li\n0.201640 0.624908 0.673496 Li\n0.798360 0.375092 0.326504 Li\n0.454004 0.954211 0.815586 Li\n0.620364 0.731459 0.997586 Li\n0.954004 0.045789 0.684414 Li\n0.120364 0.268541 0.502414 Li\n0.298360 0.624908 0.173496 Li\n0.878365 0.184068 0.014286 Bi\n0.378365 0.815932 0.485714 Bi\n0.621635 0.184068 0.514286 Bi\n0.121635 0.815932 0.985714 Bi\n0.715605 0.900184 0.289497 P\n0.534379 0.464612 0.748418 P\n0.034379 0.535388 0.751582 P\n0.215605 0.099816 0.210503 P\n0.784395 0.900184 0.789497 P\n0.965621 0.464612 0.248418 P\n0.465621 0.535388 0.251582 P\n0.284395 0.099816 0.710503 P\n0.204809 0.803126 0.201255 O\n0.689001 0.580329 0.493113 O\n0.446036 0.863841 0.220315 O\n0.676717 0.961631 0.108026 O\n0.053747 0.234925 0.970020 O\n0.072107 0.530293 0.590924 O\n0.796660 0.842656 0.281435 O\n0.452135 0.454561 0.773903 O\n0.952135 0.545439 0.726097 O\n0.296660 0.157344 0.218565 O\n0.572107 0.469707 0.909076 O\n0.553747 0.765075 0.529980 O\n0.176717 0.038369 0.391974 O\n0.946036 0.136159 0.279685 O\n0.189001 0.419671 0.006887 O\n0.704809 0.196874 0.298745 O\n0.295191 0.803126 0.701255 O\n0.810999 0.580329 0.993113 O\n0.053964 0.863841 0.720315 O\n0.823283 0.961631 0.608026 O\n0.446253 0.234925 0.470020 O\n0.427893 0.530293 0.090924 O\n0.703340 0.842656 0.781435 O\n0.047865 0.454561 0.273903 O\n0.547865 0.545439 0.226097 O\n0.203340 0.157344 0.718565 O\n0.927893 0.469707 0.409076 O\n0.946253 0.765075 0.029980 O\n0.323283 0.038369 0.891974 O\n0.553964 0.136159 0.779685 O\n0.310999 0.419671 0.506887 O\n0.795191 0.196874 0.798745 O\n",
            "nsites": 56,
            "nelements": 4,
            "elements": [
                "Li",
                "Bi",
                "P",
                "O"
            ],
            "chemical_system": "Bi-Li-O-P",
            "density": 4.3454673498610505,
            "density_atomic": 0.08728281307738106,
            "volume": 641.5925200572178,
            "volume_molar": 6.89957226133516,
            "formula_full": "Li12 Bi4 P8 O32",
            "formula_reduced": "Li3Bi(PO4)2",
            "formula_anonymous": "AB2C3D8",
            "energy": -382.13798489,
            "energy_per_atom": -6.823892587321429,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -360.15398489,
            "band_gap": 3.6108,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:22.974000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-34210",
            "created_at": "2022-09-04T14:46:07.801092Z",
            "structure_string": "Al4 Zn2 O8\n1.0\n-2.855159 2.916751 4.113595\n2.855159 -2.916751 4.113595\n2.855159 2.916751 -4.113595\nAl Zn O\n4 2 8\ndirect\n0.885312 0.135312 0.750000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.114688 0.864688 0.250000 Al\n0.500000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.263486 0.268033 0.995454 O\n0.757318 0.272424 0.015106 O\n0.772579 0.268033 0.504546 O\n0.757318 0.742213 0.484894 O\n0.242682 0.257787 0.515106 O\n0.227421 0.731967 0.495454 O\n0.242682 0.727576 0.984894 O\n0.736514 0.731967 0.004546 O\n",
            "nsites": 14,
            "nelements": 3,
            "elements": [
                "Al",
                "Zn",
                "O"
            ],
            "chemical_system": "Al-O-Zn",
            "density": 4.444218847818766,
            "density_atomic": 0.1021684627546534,
            "volume": 137.02858614619169,
            "volume_molar": 5.8943245279725165,
            "formula_full": "Al4 Zn2 O8",
            "formula_reduced": "Al2ZnO4",
            "formula_anonymous": "AB2C4",
            "energy": -97.59834236,
            "energy_per_atom": -6.971310168571429,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -92.10234236,
            "band_gap": 3.0302999999999995,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:23.684000Z",
            "spacegroup": 74
        },
        {
            "id": "mp-29170",
            "created_at": "2022-09-04T14:46:09.830671Z",
            "structure_string": "Hg2 Au4 F16\n1.0\n5.925625 0.000000 0.000000\n0.000000 5.925625 0.000000\n0.000000 0.000000 10.672901\nHg Au F\n2 4 16\ndirect\n0.000000 0.000000 0.750000 Hg\n0.000000 0.000000 0.250000 Hg\n0.500000 0.000000 0.500000 Au\n0.000000 0.500000 0.500000 Au\n0.500000 0.000000 0.000000 Au\n0.000000 0.500000 0.000000 Au\n0.686968 0.849444 0.628118 F\n0.313032 0.150556 0.628118 F\n0.849444 0.686968 0.871882 F\n0.849444 0.313032 0.628118 F\n0.150556 0.686968 0.628118 F\n0.313032 0.849444 0.871882 F\n0.849444 0.686968 0.128118 F\n0.313032 0.849444 0.128118 F\n0.686968 0.150556 0.128118 F\n0.849444 0.313032 0.371882 F\n0.150556 0.686968 0.371882 F\n0.150556 0.313032 0.128118 F\n0.686968 0.849444 0.371882 F\n0.313032 0.150556 0.371882 F\n0.150556 0.313032 0.871882 F\n0.686968 0.150556 0.871882 F\n",
            "nsites": 22,
            "nelements": 3,
            "elements": [
                "Hg",
                "Au",
                "F"
            ],
            "chemical_system": "Au-F-Hg",
            "density": 6.615522115019577,
            "density_atomic": 0.05870456468829574,
            "volume": 374.7579105102582,
            "volume_molar": 10.258385854619357,
            "formula_full": "Hg2 Au4 F16",
            "formula_reduced": "Hg(AuF4)2",
            "formula_anonymous": "AB2C8",
            "energy": -76.93447977999999,
            "energy_per_atom": -3.4970218081818176,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -69.54247978,
            "band_gap": 1.5738,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:16.442000Z",
            "spacegroup": 124
        },
        {
            "id": "mp-28593",
            "created_at": "2022-09-04T14:46:07.807565Z",
            "structure_string": "Li3 Br1 O1\n1.0\n4.005866 0.000000 0.000000\n0.000000 4.005866 0.000000\n0.000000 0.000000 4.005866\nLi Br O\n3 1 1\ndirect\n0.500000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Br\n0.000000 0.000000 0.000000 O\n",
            "nsites": 5,
            "nelements": 3,
            "elements": [
                "Li",
                "Br",
                "O"
            ],
            "chemical_system": "Br-Li-O",
            "density": 3.0152889491342982,
            "density_atomic": 0.07778229470811407,
            "volume": 64.28198112132081,
            "volume_molar": 7.7423027728851315,
            "formula_full": "Li3 Br1 O1",
            "formula_reduced": "Li3BrO",
            "formula_anonymous": "ABC3",
            "energy": -22.077208070000005,
            "energy_per_atom": -4.415441614000001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -20.85620807,
            "band_gap": 4.277500000000001,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:21.639000Z",
            "spacegroup": 221
        },
        {
            "id": "mp-14827",
            "created_at": "2022-09-04T14:46:09.051962Z",
            "structure_string": "Li56 Nb8 N32\n1.0\n9.859662 0.000000 0.000000\n0.000000 9.859662 0.000000\n0.000000 0.000000 9.859662\nLi Nb N\n56 8 32\ndirect\n0.131574 0.368426 0.631574 Li\n0.368426 0.631574 0.131574 Li\n0.631574 0.131574 0.368426 Li\n0.868426 0.868426 0.868426 Li\n0.868426 0.631574 0.368426 Li\n0.631574 0.368426 0.868426 Li\n0.368426 0.868426 0.631574 Li\n0.131574 0.131574 0.131574 Li\n0.620322 0.899522 0.631906 Li\n0.120322 0.600478 0.368094 Li\n0.379678 0.399522 0.868094 Li\n0.600478 0.368094 0.120322 Li\n0.868094 0.379678 0.399522 Li\n0.368094 0.120322 0.600478 Li\n0.899522 0.631906 0.620322 Li\n0.631906 0.620322 0.899522 Li\n0.399522 0.868094 0.379678 Li\n0.100478 0.131906 0.879678 Li\n0.131906 0.879678 0.100478 Li\n0.879678 0.100478 0.131906 Li\n0.379678 0.100478 0.368094 Li\n0.879678 0.399522 0.631906 Li\n0.620322 0.600478 0.131906 Li\n0.639239 0.116209 0.868873 Li\n0.399522 0.631906 0.879678 Li\n0.631906 0.879678 0.399522 Li\n0.100478 0.368094 0.379678 Li\n0.368094 0.379678 0.100478 Li\n0.600478 0.131906 0.620322 Li\n0.899522 0.868094 0.120322 Li\n0.868094 0.120322 0.899522 Li\n0.120322 0.899522 0.868094 Li\n0.131127 0.139239 0.383791 Li\n0.631127 0.360761 0.616209 Li\n0.868873 0.639239 0.116209 Li\n0.360761 0.616209 0.631127 Li\n0.116209 0.868873 0.639239 Li\n0.616209 0.631127 0.360761 Li\n0.139239 0.383791 0.131127 Li\n0.383791 0.131127 0.139239 Li\n0.631127 0.139239 0.116209 Li\n0.116209 0.631127 0.139239 Li\n0.139239 0.116209 0.631127 Li\n0.360761 0.883791 0.131127 Li\n0.616209 0.868873 0.860761 Li\n0.860761 0.616209 0.868873 Li\n0.383791 0.368873 0.639239 Li\n0.883791 0.131127 0.360761 Li\n0.639239 0.383791 0.368873 Li\n0.131127 0.360761 0.883791 Li\n0.368873 0.639239 0.383791 Li\n0.868873 0.860761 0.616209 Li\n0.368873 0.860761 0.883791 Li\n0.883791 0.368873 0.860761 Li\n0.860761 0.883791 0.368873 Li\n0.131906 0.620322 0.600478 Li\n0.372461 0.127539 0.872461 Nb\n0.127539 0.872461 0.372461 Nb\n0.872461 0.372461 0.127539 Nb\n0.627539 0.627539 0.627539 Nb\n0.627539 0.872461 0.127539 Nb\n0.872461 0.127539 0.627539 Nb\n0.127539 0.627539 0.872461 Nb\n0.372461 0.372461 0.372461 Nb\n0.257308 0.242692 0.757308 N\n0.242692 0.757308 0.257308 N\n0.757308 0.257308 0.242692 N\n0.742692 0.742692 0.742692 N\n0.742692 0.757308 0.242692 N\n0.757308 0.242692 0.742692 N\n0.242692 0.742692 0.757308 N\n0.257308 0.257308 0.257308 N\n0.755373 0.013669 0.509601 N\n0.255373 0.486331 0.490399 N\n0.244627 0.513669 0.990399 N\n0.486331 0.490399 0.255373 N\n0.990399 0.244627 0.513669 N\n0.490399 0.255373 0.486331 N\n0.013669 0.509601 0.755373 N\n0.509601 0.755373 0.013669 N\n0.513669 0.990399 0.244627 N\n0.986331 0.009601 0.744627 N\n0.009601 0.744627 0.986331 N\n0.744627 0.986331 0.009601 N\n0.244627 0.986331 0.490399 N\n0.744627 0.513669 0.509601 N\n0.755373 0.486331 0.009601 N\n0.513669 0.509601 0.744627 N\n0.009601 0.755373 0.486331 N\n0.509601 0.744627 0.513669 N\n0.986331 0.490399 0.244627 N\n0.490399 0.244627 0.986331 N\n0.486331 0.009601 0.755373 N\n0.013669 0.990399 0.255373 N\n0.990399 0.255373 0.013669 N\n0.255373 0.013669 0.990399 N\n",
            "nsites": 96,
            "nelements": 3,
            "elements": [
                "Li",
                "Nb",
                "N"
            ],
            "chemical_system": "Li-N-Nb",
            "density": 2.7375652275108666,
            "density_atomic": 0.10015788652348782,
            "volume": 958.486678704899,
            "volume_molar": 6.012647599735204,
            "formula_full": "Li56 Nb8 N32",
            "formula_reduced": "Li7NbN4",
            "formula_anonymous": "AB4C7",
            "energy": -539.80940932,
            "energy_per_atom": -5.6230146804166665,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -528.25740932,
            "band_gap": 3.3064,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:25.813000Z",
            "spacegroup": 205
        },
        {
            "id": "mp-1516534",
            "created_at": "2022-09-04T14:46:07.993540Z",
            "structure_string": "Ca2 Hf1 Ti1 O6\n1.0\n0.000000 -3.994696 -3.994696\n3.994696 0.000000 -3.994696\n3.994696 -3.994696 0.000000\nCa Hf Ti O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Ca\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Ti\n0.743840 0.256160 0.256160 O\n0.256160 0.743840 0.743840 O\n0.743840 0.256160 0.743840 O\n0.256160 0.743840 0.256160 O\n0.743840 0.743840 0.256160 O\n0.256160 0.256160 0.743840 O\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "Ca",
                "Hf",
                "Ti",
                "O"
            ],
            "chemical_system": "Ca-Hf-O-Ti",
            "density": 5.24256621961669,
            "density_atomic": 0.07843660726696869,
            "volume": 127.49149087955531,
            "volume_molar": 7.6777170377893835,
            "formula_full": "Ca2 Hf1 Ti1 O6",
            "formula_reduced": "Ca2HfTiO6",
            "formula_anonymous": "ABC2D6",
            "energy": -87.27567963,
            "energy_per_atom": -8.727567963,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -83.15367963,
            "band_gap": 2.4866,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:26.123000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-615833",
            "created_at": "2022-09-04T14:46:10.985991Z",
            "structure_string": "Cs8 Sb4 Cl24\n1.0\n-5.371693 5.371693 10.812789\n5.371693 -5.371693 10.812789\n5.371693 5.371693 -10.812789\nCs Sb Cl\n8 4 24\ndirect\n0.650369 0.625000 0.525369 Cs\n0.875000 0.349631 0.974631 Cs\n0.099631 0.125000 0.474631 Cs\n0.375000 0.900369 0.025369 Cs\n0.099631 0.625000 0.974631 Cs\n0.875000 0.900369 0.525369 Cs\n0.375000 0.349631 0.474631 Cs\n0.650369 0.125000 0.025369 Cs\n0.250000 0.750000 0.500000 Sb\n0.500000 0.500000 0.000000 Sb\n0.750000 0.250000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n0.122799 0.122799 0.000000 Cl\n0.476584 0.749078 0.727506 Cl\n0.872799 0.372799 0.500000 Cl\n0.002113 0.255001 0.747113 Cl\n0.877201 0.877201 0.000000 Cl\n0.250922 0.978428 0.727506 Cl\n0.273416 0.500922 0.772494 Cl\n0.499078 0.271572 0.772494 Cl\n0.499078 0.726584 0.227506 Cl\n0.507888 0.255001 0.252887 Cl\n0.005001 0.757888 0.752887 Cl\n0.250922 0.523416 0.272494 Cl\n0.137139 0.637139 0.500000 Cl\n0.728428 0.500922 0.227506 Cl\n0.242112 0.994999 0.247113 Cl\n0.744999 0.997887 0.252887 Cl\n0.747887 0.994999 0.752887 Cl\n0.627201 0.127201 0.500000 Cl\n0.387139 0.387139 0.000000 Cl\n0.612861 0.612861 0.000000 Cl\n0.744999 0.492112 0.747113 Cl\n0.021572 0.749078 0.272494 Cl\n0.005001 0.252113 0.247113 Cl\n0.362861 0.862861 0.500000 Cl\n",
            "nsites": 36,
            "nelements": 3,
            "elements": [
                "Cs",
                "Sb",
                "Cl"
            ],
            "chemical_system": "Cl-Cs-Sb",
            "density": 3.1948414950994515,
            "density_atomic": 0.028845788364252528,
            "volume": 1248.0158124093225,
            "volume_molar": 20.877019147318602,
            "formula_full": "Cs8 Sb4 Cl24",
            "formula_reduced": "Cs2SbCl6",
            "formula_anonymous": "AB2C6",
            "energy": -132.21857717,
            "energy_per_atom": -3.6727382547222223,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -117.48257717,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:19.642000Z",
            "spacegroup": 141
        }
    ]
}