GET /third-parties/MatprojStructure/?format=api&ordering=-is_gap_direct&page=109
HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept

{
    "count": 146323,
    "next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_gap_direct&page=110",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_gap_direct&page=108",
    "results": [
        {
            "id": "mp-572441",
            "created_at": "2022-09-04T14:48:18.143643Z",
            "structure_string": "Cs36 Au12 O24\n1.0\n20.107949 0.000000 0.000000\n0.000000 10.359673 0.000000\n0.000000 9.714908 10.614031\nCs Au O\n36 12 24\ndirect\n0.595537 0.763097 0.293480 Cs\n0.063539 0.434307 0.365979 Cs\n0.267501 0.598453 0.137205 Cs\n0.410857 0.920508 0.074676 Cs\n0.095537 0.236903 0.206520 Cs\n0.589307 0.046264 0.426113 Cs\n0.928718 0.231147 0.087130 Cs\n0.089307 0.953736 0.073887 Cs\n0.904463 0.763097 0.793480 Cs\n0.910857 0.079492 0.425324 Cs\n0.571282 0.231147 0.587130 Cs\n0.563539 0.565693 0.134021 Cs\n0.756039 0.653353 0.505818 Cs\n0.751470 0.153727 0.218923 Cs\n0.251470 0.846273 0.281077 Cs\n0.748530 0.153727 0.718923 Cs\n0.089143 0.920508 0.574676 Cs\n0.428718 0.768853 0.412870 Cs\n0.732499 0.401547 0.862795 Cs\n0.243961 0.346647 0.494182 Cs\n0.071282 0.768853 0.912870 Cs\n0.248530 0.846273 0.781077 Cs\n0.436461 0.434307 0.865979 Cs\n0.589143 0.079492 0.925324 Cs\n0.913157 0.730430 0.296077 Cs\n0.410693 0.953736 0.573887 Cs\n0.413157 0.269570 0.203923 Cs\n0.767501 0.401547 0.362795 Cs\n0.256039 0.346647 0.994182 Cs\n0.743961 0.653353 0.005818 Cs\n0.586843 0.730430 0.796077 Cs\n0.936461 0.565693 0.634021 Cs\n0.910693 0.046264 0.926113 Cs\n0.404463 0.236903 0.706520 Cs\n0.232499 0.598453 0.637205 Cs\n0.086843 0.269570 0.703923 Cs\n0.751758 0.897609 0.615284 Au\n0.578512 0.238107 0.093039 Au\n0.420727 0.444541 0.361969 Au\n0.579273 0.555459 0.638031 Au\n0.921488 0.238107 0.593039 Au\n0.248242 0.102391 0.384716 Au\n0.920727 0.555459 0.138031 Au\n0.748242 0.897609 0.115284 Au\n0.421488 0.761893 0.906961 Au\n0.078512 0.761893 0.406961 Au\n0.079273 0.444541 0.861969 Au\n0.251758 0.102391 0.884716 Au\n0.676036 0.736041 0.141910 O\n0.847468 0.394501 0.167421 O\n0.823964 0.736041 0.641910 O\n0.319633 0.941348 0.411217 O\n0.680367 0.058652 0.588783 O\n0.993927 0.067485 0.634460 O\n0.347468 0.605499 0.332579 O\n0.652532 0.394501 0.667421 O\n0.819633 0.058652 0.088783 O\n0.491646 0.284201 0.384786 O\n0.323964 0.263959 0.858090 O\n0.006073 0.932515 0.365540 O\n0.991646 0.715799 0.115214 O\n0.152532 0.605499 0.832579 O\n0.508354 0.715799 0.615214 O\n0.176036 0.263959 0.358090 O\n0.150264 0.586790 0.452932 O\n0.506073 0.067485 0.134460 O\n0.650264 0.413210 0.047068 O\n0.008354 0.284201 0.884786 O\n0.349736 0.586790 0.952932 O\n0.493927 0.932515 0.865540 O\n0.849736 0.413210 0.547068 O\n0.180367 0.941348 0.911217 O\n",
            "nsites": 72,
            "nelements": 3,
            "elements": [
                "Cs",
                "Au",
                "O"
            ],
            "chemical_system": "Au-Cs-O",
            "density": 5.656862904085029,
            "density_atomic": 0.03256404321455471,
            "volume": 2211.0276517450125,
            "volume_molar": 18.493221865362116,
            "formula_full": "Cs36 Au12 O24",
            "formula_reduced": "Cs3AuO2",
            "formula_anonymous": "AB2C3",
            "energy": -277.85334439,
            "energy_per_atom": -3.859074227638889,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -261.36534439,
            "band_gap": 1.7399,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0040503,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:53.557000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1147627",
            "created_at": "2022-09-04T14:48:15.152811Z",
            "structure_string": "Li10 Zn7 P8 S32\n1.0\n9.205077 0.000000 0.000000\n-0.005587 11.621771 0.000000\n-0.007900 -0.004036 11.631482\nLi Zn P S\n10 7 8 32\ndirect\n0.751585 0.998901 0.244917 Li\n0.494575 0.000414 0.996718 Li\n0.499224 0.000127 0.503133 Li\n0.005964 0.252683 0.248174 Li\n0.003402 0.748576 0.249048 Li\n0.496247 0.500392 0.999839 Li\n0.499485 0.499717 0.500382 Li\n0.999206 0.247714 0.751254 Li\n0.002222 0.750804 0.751671 Li\n0.005552 0.999957 0.997184 Li\n0.007369 0.998999 0.502693 Zn\n0.494770 0.250851 0.250625 Zn\n0.493918 0.747856 0.247592 Zn\n0.998931 0.499222 0.000205 Zn\n0.000996 0.500609 0.499964 Zn\n0.498721 0.249576 0.751474 Zn\n0.498870 0.752045 0.750905 Zn\n0.752636 0.250313 0.996329 P\n0.746925 0.749473 0.004879 P\n0.747543 0.250017 0.498875 P\n0.752903 0.750752 0.499985 P\n0.249621 0.003678 0.251564 P\n0.249394 0.500107 0.250321 P\n0.250425 0.995957 0.748709 P\n0.249809 0.499900 0.749772 P\n0.865744 0.639814 0.394985 S\n0.863277 0.361343 0.104426 S\n0.634236 0.853776 0.891985 S\n0.635117 0.146064 0.610379 S\n0.863604 0.140718 0.895575 S\n0.864980 0.862606 0.604154 S\n0.635486 0.354415 0.387037 S\n0.629852 0.642914 0.112301 S\n0.864583 0.640718 0.899776 S\n0.866614 0.359064 0.601551 S\n0.628332 0.354894 0.892182 S\n0.634494 0.648210 0.609200 S\n0.133427 0.104593 0.144223 S\n0.135752 0.895838 0.361519 S\n0.366578 0.891899 0.147410 S\n0.371738 0.109433 0.357635 S\n0.136022 0.603829 0.138360 S\n0.135557 0.396155 0.362129 S\n0.369966 0.888854 0.642669 S\n0.364345 0.110106 0.852093 S\n0.138712 0.104462 0.637754 S\n0.137584 0.893935 0.856738 S\n0.363177 0.388768 0.145942 S\n0.363372 0.611200 0.355409 S\n0.134475 0.604222 0.638728 S\n0.134633 0.395974 0.860876 S\n0.364774 0.388591 0.645764 S\n0.364918 0.611492 0.853216 S\n0.870310 0.138715 0.395330 S\n0.868697 0.858033 0.105952 S\n0.630055 0.853761 0.388365 S\n0.629298 0.146966 0.110129 S\n",
            "nsites": 57,
            "nelements": 4,
            "elements": [
                "Li",
                "Zn",
                "P",
                "S"
            ],
            "chemical_system": "Li-P-S-Zn",
            "density": 2.403601812684267,
            "density_atomic": 0.04580786632639353,
            "volume": 1244.3277666298504,
            "volume_molar": 13.146520986353316,
            "formula_full": "Li10 Zn7 P8 S32",
            "formula_reduced": "Li10Zn7(PS4)8",
            "formula_anonymous": "A7B8C10D32",
            "energy": -259.34075028,
            "energy_per_atom": -4.549837724210526,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -243.24475028,
            "band_gap": 2.6681,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0001664,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:40:08.092000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-733853",
            "created_at": "2022-09-04T14:48:24.374242Z",
            "structure_string": "K8 H4 I8 Cl4 O24\n1.0\n6.673715 0.000000 0.000000\n0.000000 8.773936 0.000000\n0.000000 0.000000 15.186648\nK H I Cl O\n8 4 8 4 24\ndirect\n0.019724 0.238545 0.015361 K\n0.980276 0.738545 0.984639 K\n0.019724 0.738545 0.484639 K\n0.980276 0.238545 0.515361 K\n0.441514 0.745275 0.763904 K\n0.558486 0.245275 0.236096 K\n0.441514 0.245275 0.736096 K\n0.558486 0.745275 0.263904 K\n0.286014 0.975521 0.107963 H\n0.713986 0.475521 0.892037 H\n0.286014 0.475521 0.392037 H\n0.713986 0.975521 0.607963 H\n0.064501 0.006511 0.282078 I\n0.935499 0.506511 0.717922 I\n0.064501 0.506511 0.217922 I\n0.935499 0.006511 0.782078 I\n0.495449 0.998486 0.965533 I\n0.504551 0.498486 0.034467 I\n0.495449 0.498486 0.534467 I\n0.504551 0.998486 0.465533 I\n0.223815 0.466626 0.875651 Cl\n0.776185 0.966626 0.124349 Cl\n0.223815 0.966626 0.624349 Cl\n0.776185 0.466626 0.375651 Cl\n0.289533 0.991628 0.212986 O\n0.710467 0.491628 0.787014 O\n0.289533 0.491628 0.287014 O\n0.710467 0.991628 0.712986 O\n0.188573 0.068213 0.385765 O\n0.811427 0.568213 0.614235 O\n0.188573 0.568213 0.114235 O\n0.811427 0.068213 0.885765 O\n0.015465 0.805858 0.304732 O\n0.984535 0.305858 0.695268 O\n0.015465 0.305858 0.195268 O\n0.984535 0.805858 0.804732 O\n0.262666 0.964078 0.041636 O\n0.737334 0.464078 0.958364 O\n0.262666 0.464078 0.458364 O\n0.737334 0.964078 0.541636 O\n0.333822 0.042711 0.872676 O\n0.666178 0.542711 0.127324 O\n0.333822 0.542711 0.627324 O\n0.666178 0.042711 0.372676 O\n0.549113 0.798750 0.944866 O\n0.450887 0.298750 0.055134 O\n0.549113 0.298750 0.555134 O\n0.450887 0.798750 0.444866 O\n",
            "nsites": 48,
            "nelements": 5,
            "elements": [
                "K",
                "H",
                "I",
                "Cl",
                "O"
            ],
            "chemical_system": "Cl-H-I-K-O",
            "density": 3.469253653129605,
            "density_atomic": 0.05397805009996228,
            "volume": 889.25035104285,
            "volume_molar": 11.1566474684572,
            "formula_full": "K8 H4 I8 Cl4 O24",
            "formula_reduced": "K2HI2ClO6",
            "formula_anonymous": "ABC2D2E6",
            "energy": -225.59991345,
            "energy_per_atom": -4.699998196875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -206.65591345,
            "band_gap": 3.0513,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0031547,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:39:34.682000Z",
            "spacegroup": 29
        },
        {
            "id": "mp-1185167",
            "created_at": "2022-09-04T14:48:18.030254Z",
            "structure_string": "La4 P20\n1.0\n9.734111 0.000000 0.000000\n0.000000 5.643078 0.000000\n0.000000 2.782332 9.264248\nLa P\n4 20\ndirect\n0.250000 0.092745 0.048385 La\n0.750000 0.907255 0.951615 La\n0.250000 0.127793 0.522042 La\n0.750000 0.872207 0.477958 La\n0.586044 0.454678 0.689159 P\n0.086044 0.545322 0.310841 P\n0.413956 0.545322 0.310841 P\n0.913956 0.454678 0.689159 P\n0.549023 0.135208 0.136359 P\n0.049023 0.864792 0.863641 P\n0.450977 0.864792 0.863641 P\n0.950977 0.135208 0.136359 P\n0.595476 0.480356 0.187592 P\n0.095476 0.519644 0.812408 P\n0.404524 0.519644 0.812408 P\n0.904524 0.480356 0.187592 P\n0.250000 0.575940 0.636470 P\n0.750000 0.424060 0.363530 P\n0.545134 0.090984 0.658236 P\n0.045134 0.909016 0.341764 P\n0.454866 0.909016 0.341764 P\n0.954866 0.090984 0.658236 P\n0.250000 0.545233 0.150398 P\n0.750000 0.454767 0.849602 P\n",
            "nsites": 24,
            "nelements": 2,
            "elements": [
                "La",
                "P"
            ],
            "chemical_system": "La-P",
            "density": 3.834425811040429,
            "density_atomic": 0.04716162077056413,
            "volume": 508.8883632044209,
            "volume_molar": 12.769155643095946,
            "formula_full": "La4 P20",
            "formula_reduced": "LaP5",
            "formula_anonymous": "AB5",
            "energy": -141.59456088,
            "energy_per_atom": -5.899773369999999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -141.59456088,
            "band_gap": 0.1667000000000005,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0001232,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:39:06.131000Z",
            "spacegroup": 11
        },
        {
            "id": "mp-1198462",
            "created_at": "2022-09-04T14:48:18.403381Z",
            "structure_string": "K4 Na4 Nb4 O4 F20\n1.0\n5.990620 0.000000 0.000000\n0.000000 8.290561 0.000000\n0.000000 0.000000 12.101585\nK Na Nb O F\n4 4 4 4 20\ndirect\n0.031901 0.299226 0.038767 K\n0.968099 0.799226 0.961233 K\n0.468099 0.299226 0.538767 K\n0.531901 0.799226 0.461233 K\n0.048346 0.046402 0.361764 Na\n0.951654 0.546402 0.638236 Na\n0.451654 0.046402 0.861764 Na\n0.548346 0.546402 0.138236 Na\n0.540774 0.039055 0.151727 Nb\n0.459226 0.539055 0.848273 Nb\n0.959226 0.039055 0.651727 Nb\n0.040774 0.539055 0.348273 Nb\n0.401059 0.999523 0.278228 O\n0.598941 0.499523 0.721772 O\n0.098941 0.999523 0.778228 O\n0.901059 0.499523 0.221772 O\n0.285055 0.003617 0.047238 F\n0.714945 0.503617 0.952762 F\n0.214945 0.003617 0.547238 F\n0.785055 0.503617 0.452762 F\n0.464353 0.271868 0.139378 F\n0.535647 0.771868 0.860622 F\n0.035647 0.271868 0.639378 F\n0.964353 0.771868 0.360622 F\n0.335511 0.601994 0.288383 F\n0.664489 0.101994 0.711617 F\n0.164489 0.601994 0.788383 F\n0.835511 0.101994 0.211617 F\n0.148141 0.315233 0.372662 F\n0.851859 0.815233 0.627338 F\n0.351859 0.315233 0.872662 F\n0.648141 0.815233 0.127338 F\n0.282716 0.575731 0.003147 F\n0.717284 0.075731 0.996853 F\n0.217284 0.575731 0.503147 F\n0.782716 0.075731 0.496853 F\n",
            "nsites": 36,
            "nelements": 5,
            "elements": [
                "K",
                "Na",
                "Nb",
                "O",
                "F"
            ],
            "chemical_system": "F-K-Na-Nb-O",
            "density": 2.939474523543936,
            "density_atomic": 0.059896928717729024,
            "volume": 601.0324864844745,
            "volume_molar": 10.05417287483973,
            "formula_full": "K4 Na4 Nb4 O4 F20",
            "formula_reduced": "KNaNbOF5",
            "formula_anonymous": "ABCDE5",
            "energy": -225.80972551,
            "energy_per_atom": -6.2724923752777775,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -213.82172551,
            "band_gap": 4.3822,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0003507,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:55.508000Z",
            "spacegroup": 33
        },
        {
            "id": "mp-9784",
            "created_at": "2022-09-04T14:48:18.414953Z",
            "structure_string": "Ba3 B3 As3 O15\n1.0\n3.720060 -6.443334 0.000000\n3.720060 6.443334 0.000000\n0.000000 0.000000 7.201502\nBa B As O\n3 3 3 15\ndirect\n0.389744 0.389744 0.500000 Ba\n0.000000 0.610256 0.166667 Ba\n0.610256 0.000000 0.833333 Ba\n0.904497 0.904497 0.500000 B\n0.000000 0.095503 0.166667 B\n0.095503 0.000000 0.833333 B\n0.606474 0.000000 0.333333 As\n0.393526 0.393526 0.000000 As\n0.000000 0.606474 0.666667 As\n0.973948 0.973948 0.000000 O\n0.026052 0.000000 0.333333 O\n0.000000 0.026052 0.666667 O\n0.567308 0.150955 0.482758 O\n0.583647 0.432692 0.149425 O\n0.849045 0.416353 0.816091 O\n0.144084 0.822653 0.812443 O\n0.177347 0.321431 0.145777 O\n0.678569 0.855916 0.479110 O\n0.150955 0.567308 0.517242 O\n0.432692 0.583647 0.850575 O\n0.416353 0.849045 0.183909 O\n0.855916 0.678569 0.520890 O\n0.321431 0.177347 0.854223 O\n0.822653 0.144084 0.187557 O\n",
            "nsites": 24,
            "nelements": 4,
            "elements": [
                "Ba",
                "B",
                "As",
                "O"
            ],
            "chemical_system": "As-B-Ba-O",
            "density": 4.373009578662192,
            "density_atomic": 0.06951804840846966,
            "volume": 345.23408739817245,
            "volume_molar": 8.662701122758069,
            "formula_full": "Ba3 B3 As3 O15",
            "formula_reduced": "BaBAsO5",
            "formula_anonymous": "ABCD5",
            "energy": -177.04472714000002,
            "energy_per_atom": -7.376863630833334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -166.73972714,
            "band_gap": 3.5436,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:58.988000Z",
            "spacegroup": 152
        },
        {
            "id": "mp-31118",
            "created_at": "2022-09-04T14:48:22.991086Z",
            "structure_string": "Sm4 Sc4 O12\n1.0\n5.552341 0.000000 0.000000\n0.000000 5.813352 0.000000\n0.000000 0.000000 8.044541\nSm Sc O\n4 4 12\ndirect\n0.982386 0.059327 0.750000 Sm\n0.482386 0.440673 0.250000 Sm\n0.517614 0.559327 0.750000 Sm\n0.017614 0.940673 0.250000 Sm\n0.000000 0.500000 0.500000 Sc\n0.500000 0.000000 0.500000 Sc\n0.500000 0.000000 0.000000 Sc\n0.000000 0.500000 0.000000 Sc\n0.695327 0.303052 0.562238 O\n0.195327 0.196948 0.437762 O\n0.804673 0.803052 0.937762 O\n0.304673 0.696948 0.062238 O\n0.304673 0.696948 0.437762 O\n0.804673 0.803052 0.562238 O\n0.195327 0.196948 0.062238 O\n0.695327 0.303052 0.937762 O\n0.881725 0.547626 0.250000 O\n0.381725 0.952374 0.750000 O\n0.618275 0.047626 0.250000 O\n0.118275 0.452374 0.750000 O\n",
            "nsites": 20,
            "nelements": 3,
            "elements": [
                "Sm",
                "Sc",
                "O"
            ],
            "chemical_system": "O-Sc-Sm",
            "density": 6.224039878514231,
            "density_atomic": 0.0770239834202855,
            "volume": 259.6593828557129,
            "volume_molar": 7.81852676605917,
            "formula_full": "Sm4 Sc4 O12",
            "formula_reduced": "SmScO3",
            "formula_anonymous": "ABC3",
            "energy": -182.00504221,
            "energy_per_atom": -9.1002521105,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -173.76104220999997,
            "band_gap": 4.366899999999999,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0009661,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:39:06.831000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-1219016",
            "created_at": "2022-09-04T14:48:18.153193Z",
            "structure_string": "Sn2 Pb1 Se3\n1.0\n2.158998 -3.739494 0.000000\n2.158998 3.739494 0.000000\n0.000000 0.000000 10.589726\nSn Pb Se\n2 1 3\ndirect\n0.333333 0.666667 0.664740 Sn\n0.666667 0.333333 0.335260 Sn\n0.000000 0.000000 0.000000 Pb\n0.333333 0.666667 0.172990 Se\n0.666667 0.333333 0.827010 Se\n0.000000 0.000000 0.500000 Se\n",
            "nsites": 6,
            "nelements": 3,
            "elements": [
                "Sn",
                "Pb",
                "Se"
            ],
            "chemical_system": "Pb-Se-Sn",
            "density": 6.618127930477818,
            "density_atomic": 0.03508903710532477,
            "volume": 170.99357790839744,
            "volume_molar": 17.1624565870066,
            "formula_full": "Sn2 Pb1 Se3",
            "formula_reduced": "Sn2PbSe3",
            "formula_anonymous": "AB2C3",
            "energy": -26.45008782,
            "energy_per_atom": -4.40834797,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -25.03408782,
            "band_gap": 0.0060000000000002,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 2.1e-06,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:59.282000Z",
            "spacegroup": 164
        },
        {
            "id": "mp-1210439",
            "created_at": "2022-09-04T14:48:24.084190Z",
            "structure_string": "Sm2 Ga12\n1.0\n17.851547 0.000000 0.000000\n0.000000 17.851547 0.000000\n0.000000 0.000000 13.106840\nSm Ga\n2 12\ndirect\n0.000000 0.500000 0.000000 Sm\n0.500000 0.000000 0.000000 Sm\n0.000000 0.892156 0.402774 Ga\n0.000000 0.107844 0.402774 Ga\n0.892156 0.000000 0.402774 Ga\n0.107844 0.000000 0.597226 Ga\n0.000000 0.107844 0.597226 Ga\n0.107844 0.000000 0.402774 Ga\n0.892156 0.000000 0.597226 Ga\n0.000000 0.892156 0.597226 Ga\n0.500000 0.000000 0.218800 Ga\n0.000000 0.500000 0.218800 Ga\n0.000000 0.500000 0.781200 Ga\n0.500000 0.000000 0.781200 Ga\n",
            "nsites": 14,
            "nelements": 2,
            "elements": [
                "Sm",
                "Ga"
            ],
            "chemical_system": "Ga-Sm",
            "density": 0.45217972026178166,
            "density_atomic": 0.0033518017429680436,
            "volume": 4176.858022516243,
            "volume_molar": 179.66876390091474,
            "formula_full": "Sm2 Ga12",
            "formula_reduced": "SmGa6",
            "formula_anonymous": "AB6",
            "energy": -26.18422238,
            "energy_per_atom": -1.8703015985714286,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -26.18422238,
            "band_gap": 0.1123000000000002,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 4.1774394,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:39:28.709000Z",
            "spacegroup": 123
        },
        {
            "id": "mp-1224051",
            "created_at": "2022-09-04T14:48:19.002862Z",
            "structure_string": "In5 Sn1 Sb3 Te1\n1.0\n6.680749 0.000000 0.000000\n3.339365 7.448145 0.000000\n3.336273 0.022343 7.463465\nIn Sn Sb Te\n5 1 3 1\ndirect\n0.997394 0.003670 0.998136 In\n0.404334 0.809283 0.396216 In\n0.786851 0.598856 0.810251 In\n0.205675 0.394449 0.187343 In\n0.609246 0.193115 0.608040 In\n0.652504 0.298450 0.900611 Sn\n0.045112 0.099559 0.299540 Sb\n0.448362 0.899493 0.700593 Sb\n0.852412 0.701303 0.100118 Sb\n0.248110 0.501821 0.499152 Te\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "In",
                "Sn",
                "Sb",
                "Te"
            ],
            "chemical_system": "In-Sb-Sn-Te",
            "density": 5.3015494056039225,
            "density_atomic": 0.026926891553938948,
            "volume": 371.3759525479713,
            "volume_molar": 22.364782611229636,
            "formula_full": "In5 Sn1 Sb3 Te1",
            "formula_reduced": "In5SnSb3Te",
            "formula_anonymous": "ABC3D5",
            "energy": -35.44422934,
            "energy_per_atom": -3.544422934,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -34.44622934,
            "band_gap": 0.1652999999999993,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0005285,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:46.668000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1029504",
            "created_at": "2022-09-04T14:48:22.533893Z",
            "structure_string": "K16 Nb16 N32\n1.0\n5.974729 0.000000 0.000000\n0.000000 11.953375 0.000000\n0.000000 0.000000 16.825295\nK Nb N\n16 16 32\ndirect\n0.263599 0.001232 0.440458 K\n0.763599 0.498768 0.559542 K\n0.736401 0.501232 0.059542 K\n0.236401 0.998768 0.940458 K\n0.736401 0.998768 0.559542 K\n0.236401 0.501232 0.440458 K\n0.263599 0.498768 0.940458 K\n0.763599 0.001232 0.059542 K\n0.276470 0.262728 0.315586 K\n0.776470 0.237272 0.684414 K\n0.723530 0.762728 0.184414 K\n0.223530 0.737272 0.815586 K\n0.723530 0.737272 0.684414 K\n0.223530 0.762728 0.315586 K\n0.276470 0.237272 0.815586 K\n0.776470 0.262728 0.184414 K\n0.767056 0.011000 0.310344 Nb\n0.267056 0.489000 0.689656 Nb\n0.232944 0.511000 0.189656 Nb\n0.732944 0.989000 0.810344 Nb\n0.232944 0.989000 0.689656 Nb\n0.732944 0.511000 0.310344 Nb\n0.767056 0.489000 0.810344 Nb\n0.267056 0.011000 0.189656 Nb\n0.761208 0.265816 0.435120 Nb\n0.261208 0.234184 0.564880 Nb\n0.238792 0.765816 0.064880 Nb\n0.738792 0.734184 0.935120 Nb\n0.238792 0.734184 0.564880 Nb\n0.738792 0.765816 0.435120 Nb\n0.761208 0.234184 0.935120 Nb\n0.261208 0.265816 0.064880 Nb\n0.039290 0.298435 0.492442 N\n0.539290 0.201565 0.507558 N\n0.960710 0.798435 0.007558 N\n0.460710 0.701565 0.992442 N\n0.960710 0.701565 0.507558 N\n0.460710 0.798435 0.492442 N\n0.039290 0.201565 0.992442 N\n0.539290 0.298435 0.007558 N\n0.644045 0.407705 0.395343 N\n0.144045 0.092295 0.604657 N\n0.355955 0.907705 0.104657 N\n0.855955 0.592295 0.895343 N\n0.355955 0.592295 0.604657 N\n0.855955 0.907705 0.395343 N\n0.644045 0.092295 0.895343 N\n0.144045 0.407705 0.104657 N\n0.815402 0.165522 0.344897 N\n0.315402 0.334478 0.655103 N\n0.184598 0.665522 0.155103 N\n0.684598 0.834478 0.844897 N\n0.184598 0.834478 0.655103 N\n0.684598 0.665522 0.344897 N\n0.815402 0.334478 0.844897 N\n0.315402 0.165522 0.155103 N\n0.548453 0.483909 0.216276 N\n0.048453 0.016091 0.783724 N\n0.451547 0.983909 0.283724 N\n0.951547 0.516091 0.716276 N\n0.451547 0.516091 0.783724 N\n0.951547 0.983909 0.216276 N\n0.548453 0.016091 0.716276 N\n0.048453 0.483909 0.283724 N\n",
            "nsites": 64,
            "nelements": 3,
            "elements": [
                "K",
                "Nb",
                "N"
            ],
            "chemical_system": "K-N-Nb",
            "density": 3.538072206678848,
            "density_atomic": 0.05326090365545443,
            "volume": 1201.631883942806,
            "volume_molar": 11.306869291886816,
            "formula_full": "K16 Nb16 N32",
            "formula_reduced": "KNbN2",
            "formula_anonymous": "ABC2",
            "energy": -506.20479875,
            "energy_per_atom": -7.90944998046875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -494.65279875,
            "band_gap": 2.3084,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0005208,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:39:39.168000Z",
            "spacegroup": 61
        },
        {
            "id": "mp-558754",
            "created_at": "2022-09-04T14:48:23.008398Z",
            "structure_string": "Sb8 Os2 C12 O12 F44\n1.0\n12.779462 0.000000 0.000000\n0.000000 9.979864 0.000000\n0.000000 6.153963 10.059697\nSb Os C O F\n8 2 12 12 44\ndirect\n0.369004 0.241708 0.773761 Sb\n0.630996 0.758292 0.226239 Sb\n0.299936 0.600401 0.996667 Sb\n0.200064 0.600401 0.496667 Sb\n0.869004 0.758292 0.726239 Sb\n0.130996 0.241708 0.273761 Sb\n0.700064 0.399599 0.003333 Sb\n0.799936 0.399599 0.503333 Sb\n0.000000 0.000000 0.000000 Os\n0.500000 0.000000 0.500000 Os\n0.553475 0.969649 0.673085 C\n0.646937 0.049775 0.426274 C\n0.476943 0.230864 0.426476 C\n0.946525 0.969649 0.173085 C\n0.523057 0.769136 0.573524 C\n0.053475 0.030351 0.826915 C\n0.023057 0.230864 0.926476 C\n0.353063 0.950225 0.573726 C\n0.976943 0.769136 0.073524 C\n0.853063 0.049775 0.926274 C\n0.446525 0.030351 0.326915 C\n0.146937 0.950225 0.073726 C\n0.583477 0.951284 0.770961 O\n0.729204 0.081559 0.383675 O\n0.083477 0.048716 0.729039 O\n0.533591 0.637840 0.617997 O\n0.416523 0.048716 0.229039 O\n0.916523 0.951284 0.270961 O\n0.229204 0.918441 0.116325 O\n0.033591 0.362160 0.882003 O\n0.466409 0.362160 0.382003 O\n0.770796 0.081559 0.883675 O\n0.966409 0.637840 0.117997 O\n0.270796 0.918441 0.616325 O\n0.265582 0.534996 0.389697 F\n0.496200 0.298025 0.675764 F\n0.588325 0.667436 0.127898 F\n0.319006 0.178162 0.655514 F\n0.183858 0.464483 0.136882 F\n0.003800 0.298025 0.175764 F\n0.730465 0.793562 0.652404 F\n0.411291 0.034749 0.901945 F\n0.180994 0.178162 0.155514 F\n0.384802 0.417576 0.080306 F\n0.802463 0.235668 0.059172 F\n0.269535 0.206438 0.347596 F\n0.680994 0.821838 0.344486 F\n0.683858 0.535517 0.363118 F\n0.088709 0.034749 0.401945 F\n0.911291 0.965251 0.598055 F\n0.152635 0.652458 0.620833 F\n0.503800 0.701975 0.324236 F\n0.316142 0.464483 0.636882 F\n0.197537 0.764332 0.940828 F\n0.103397 0.731288 0.359666 F\n0.302463 0.764332 0.440828 F\n0.765582 0.465004 0.110303 F\n0.603397 0.268712 0.140334 F\n0.615198 0.582424 0.919694 F\n0.911675 0.667436 0.627898 F\n0.847365 0.347542 0.379167 F\n0.996200 0.701975 0.824236 F\n0.734418 0.465004 0.610303 F\n0.884802 0.582424 0.419694 F\n0.115198 0.417576 0.580306 F\n0.896603 0.268712 0.640334 F\n0.697537 0.235668 0.559172 F\n0.816142 0.535517 0.863118 F\n0.088325 0.332564 0.372102 F\n0.234418 0.534996 0.889697 F\n0.769535 0.793562 0.152404 F\n0.230465 0.206438 0.847596 F\n0.652635 0.347542 0.879167 F\n0.588709 0.965251 0.098055 F\n0.819006 0.821838 0.844486 F\n0.347365 0.652458 0.120833 F\n0.411675 0.332564 0.872102 F\n0.396603 0.731288 0.859666 F\n",
            "nsites": 78,
            "nelements": 5,
            "elements": [
                "Sb",
                "Os",
                "C",
                "O",
                "F"
            ],
            "chemical_system": "C-F-O-Os-Sb",
            "density": 3.2701068116243155,
            "density_atomic": 0.060795650386987664,
            "volume": 1282.9865212971658,
            "volume_molar": 9.905545415941374,
            "formula_full": "Sb8 Os2 C12 O12 F44",
            "formula_reduced": "Sb4OsC6(O3F11)2",
            "formula_anonymous": "AB4C6D6E22",
            "energy": -475.59689442,
            "energy_per_atom": -6.097396082307692,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -447.02489442,
            "band_gap": 4.4837,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:39:43.752000Z",
            "spacegroup": 14
        }
    ]
}