GET /third-parties/MatprojStructure/?format=api&ordering=-is_gap_direct&page=57
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=58",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_gap_direct&page=56",
    "results": [
        {
            "id": "mp-556454",
            "created_at": "2022-09-04T14:41:05.836899Z",
            "structure_string": "Si16 O32\n1.0\n8.452575 -10.193901 0.000000\n8.452575 10.193901 0.000000\n0.000000 0.000000 5.202958\nSi O\n16 32\ndirect\n0.260145 0.107822 0.466781 Si\n0.739855 0.892178 0.466781 Si\n0.500666 0.877568 0.468660 Si\n0.628821 0.186508 0.971513 Si\n0.186508 0.628821 0.028487 Si\n0.213138 0.971043 0.965576 Si\n0.971043 0.213138 0.034424 Si\n0.028957 0.786862 0.034424 Si\n0.371179 0.813492 0.971513 Si\n0.813492 0.371179 0.028487 Si\n0.499334 0.122432 0.468660 Si\n0.877568 0.500666 0.531340 Si\n0.122432 0.499334 0.531340 Si\n0.892178 0.739855 0.533219 Si\n0.107822 0.260145 0.533219 Si\n0.786862 0.028957 0.965576 Si\n0.790919 0.790919 0.500000 O\n0.939194 0.768452 0.818323 O\n0.299067 0.700933 0.000000 O\n0.457836 0.829433 0.194747 O\n0.768452 0.939194 0.181677 O\n0.021077 0.216375 0.319480 O\n0.383313 0.143135 0.503703 O\n0.899489 0.100511 0.000000 O\n0.097088 0.697395 0.003904 O\n0.216375 0.021077 0.680520 O\n0.231548 0.060806 0.181677 O\n0.700933 0.299067 0.000000 O\n0.427920 0.819752 0.694801 O\n0.209081 0.209081 0.500000 O\n0.060806 0.231548 0.818323 O\n0.542164 0.170567 0.194747 O\n0.616687 0.856865 0.503703 O\n0.978923 0.783625 0.319480 O\n0.180248 0.572080 0.305199 O\n0.302605 0.902912 0.996096 O\n0.783625 0.978923 0.680520 O\n0.902912 0.302605 0.003904 O\n0.697395 0.097088 0.996096 O\n0.500000 0.000000 0.477620 O\n0.143135 0.383313 0.496297 O\n0.829433 0.457836 0.805253 O\n0.819752 0.427920 0.305199 O\n0.100511 0.899489 0.000000 O\n0.856865 0.616687 0.496297 O\n0.572080 0.180248 0.694801 O\n0.170567 0.542164 0.805253 O\n0.000000 0.500000 0.522380 O\n",
            "nsites": 48,
            "nelements": 2,
            "elements": [
                "Si",
                "O"
            ],
            "chemical_system": "O-Si",
            "density": 1.780411233043766,
            "density_atomic": 0.05353421972019301,
            "volume": 896.6227629893798,
            "volume_molar": 11.249142681962839,
            "formula_full": "Si16 O32",
            "formula_reduced": "SiO2",
            "formula_anonymous": "AB2",
            "energy": -401.56783815,
            "energy_per_atom": -8.365996628125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -379.58383815,
            "band_gap": 5.5651,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0012801,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:15.946000Z",
            "spacegroup": 21
        },
        {
            "id": "mp-1214331",
            "created_at": "2022-09-04T14:41:16.926081Z",
            "structure_string": "Cd4 H4 C8 N16 O16\n1.0\n9.065236 0.000000 0.000000\n0.000000 10.127005 0.000000\n0.000000 0.000000 15.985989\nCd H C N O\n4 4 8 16 16\ndirect\n0.000000 0.750000 0.720537 Cd\n0.000000 0.250000 0.279463 Cd\n0.500000 0.250000 0.779463 Cd\n0.500000 0.750000 0.220537 Cd\n0.000000 0.750000 0.373738 H\n0.000000 0.250000 0.626262 H\n0.500000 0.250000 0.126262 H\n0.500000 0.750000 0.873738 H\n0.140885 0.497270 0.169279 C\n0.859115 0.502730 0.830721 C\n0.359115 0.997270 0.330721 C\n0.859115 0.002730 0.169279 C\n0.640885 0.002730 0.669279 C\n0.140885 0.997270 0.830721 C\n0.640885 0.502730 0.330721 C\n0.359115 0.497270 0.669279 C\n0.307992 0.819623 0.043456 N\n0.692008 0.180377 0.956544 N\n0.192008 0.319623 0.456544 N\n0.692008 0.680377 0.043456 N\n0.807992 0.680377 0.543456 N\n0.307992 0.319623 0.956544 N\n0.807992 0.180377 0.456544 N\n0.192008 0.819623 0.543456 N\n0.211848 0.751840 0.036322 N\n0.788152 0.248160 0.963678 N\n0.288152 0.251840 0.463678 N\n0.788152 0.748160 0.036322 N\n0.711848 0.748160 0.536322 N\n0.211848 0.251840 0.963678 N\n0.711848 0.248160 0.463678 N\n0.288152 0.751840 0.536322 N\n0.204635 0.538022 0.228277 O\n0.795365 0.461978 0.771723 O\n0.295365 0.038022 0.271723 O\n0.795365 0.961978 0.228277 O\n0.704635 0.961978 0.728277 O\n0.204635 0.038022 0.771723 O\n0.704635 0.461978 0.271723 O\n0.295365 0.538022 0.728277 O\n0.579371 0.539467 0.391150 O\n0.420629 0.460533 0.608850 O\n0.920629 0.039467 0.108850 O\n0.420629 0.960533 0.391150 O\n0.079371 0.960533 0.891150 O\n0.579371 0.039467 0.608850 O\n0.079371 0.460533 0.108850 O\n0.920629 0.539467 0.891150 O\n",
            "nsites": 48,
            "nelements": 5,
            "elements": [
                "Cd",
                "H",
                "C",
                "N",
                "O"
            ],
            "chemical_system": "C-Cd-H-N-O",
            "density": 1.1652717028194937,
            "density_atomic": 0.032707066080344606,
            "volume": 1467.5727832661125,
            "volume_molar": 18.412353909111463,
            "formula_full": "Cd4 H4 C8 N16 O16",
            "formula_reduced": "CdHC2(NO)4",
            "formula_anonymous": "ABC2D4E4",
            "energy": -338.63333433,
            "energy_per_atom": -7.0548611318750005,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -321.86533433,
            "band_gap": 2.9733,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 4.0100153,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:17.173000Z",
            "spacegroup": 60
        },
        {
            "id": "mp-1112521",
            "created_at": "2022-09-04T14:41:06.109479Z",
            "structure_string": "Cs2 Rb1 In1 I6\n1.0\n0.000000 6.441460 6.441460\n6.441460 0.000000 6.441460\n6.441460 6.441460 0.000000\nCs Rb In I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 In\n0.771338 0.228662 0.228662 I\n0.228662 0.228662 0.771338 I\n0.228662 0.771338 0.771338 I\n0.228662 0.771338 0.228662 I\n0.771338 0.228662 0.771338 I\n0.771338 0.771338 0.228662 I\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "Cs",
                "Rb",
                "In",
                "I"
            ],
            "chemical_system": "Cs-I-In-Rb",
            "density": 3.813256177842497,
            "density_atomic": 0.01870755632751888,
            "volume": 534.5433591072483,
            "volume_molar": 32.19095350867077,
            "formula_full": "Cs2 Rb1 In1 I6",
            "formula_reduced": "Cs2RbInI6",
            "formula_anonymous": "ABC2D6",
            "energy": -27.84652964,
            "energy_per_atom": -2.784652964,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -25.57252964,
            "band_gap": 1.3972,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0023371,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:15.747000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-569639",
            "created_at": "2022-09-04T14:41:17.065368Z",
            "structure_string": "Tl1 Cl1\n1.0\n0.000000 3.265865 3.265865\n3.265865 0.000000 3.265865\n3.265865 3.265865 0.000000\nTl Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Cl\n",
            "nsites": 2,
            "nelements": 2,
            "elements": [
                "Tl",
                "Cl"
            ],
            "chemical_system": "Cl-Tl",
            "density": 5.716620099833653,
            "density_atomic": 0.02870815712595675,
            "volume": 69.66661047677216,
            "volume_molar": 20.97710672816063,
            "formula_full": "Tl1 Cl1",
            "formula_reduced": "TlCl",
            "formula_anonymous": "AB",
            "energy": -6.85916845,
            "energy_per_atom": -3.429584225,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -6.24516845,
            "band_gap": 2.5369,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 3.41e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:12.333000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-1112525",
            "created_at": "2022-09-04T14:41:17.121772Z",
            "structure_string": "Cs2 Rb1 Al1 Cl6\n1.0\n0.000000 5.498424 5.498424\n5.498424 0.000000 5.498424\n5.498424 5.498424 0.000000\nCs Rb Al Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Al\n0.786099 0.213901 0.213901 Cl\n0.213901 0.213901 0.786099 Cl\n0.213901 0.786099 0.786099 Cl\n0.213901 0.786099 0.213901 Cl\n0.786099 0.213901 0.786099 Cl\n0.786099 0.786099 0.213901 Cl\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "Cs",
                "Rb",
                "Al",
                "Cl"
            ],
            "chemical_system": "Al-Cl-Cs-Rb",
            "density": 2.9517251400988536,
            "density_atomic": 0.030078441149475593,
            "volume": 332.4640379567791,
            "volume_molar": 20.021452342137067,
            "formula_full": "Cs2 Rb1 Al1 Cl6",
            "formula_reduced": "Cs2RbAlCl6",
            "formula_anonymous": "ABC2D6",
            "energy": -39.48100198,
            "energy_per_atom": -3.948100198,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -35.79700198,
            "band_gap": 4.6551,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 8.79e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:29.055000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-1032148",
            "created_at": "2022-09-04T14:41:17.154370Z",
            "structure_string": "Mg6 Cu1 Sn1 O8\n1.0\n8.858584 0.000000 0.000000\n0.000000 4.398623 0.000000\n0.000000 0.000000 4.398623\nMg Cu Sn O\n6 1 1 8\ndirect\n-0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.230721 -0.000000 0.500000 Mg\n0.769278 0.000000 0.500000 Mg\n0.230721 0.500000 0.000000 Mg\n0.769278 0.500000 -0.000000 Mg\n-0.000000 -0.000000 0.000000 Cu\n0.500000 0.000000 0.000000 Sn\n0.248834 0.000000 -0.000000 O\n0.751166 -0.000000 0.000000 O\n0.251057 0.500000 0.500000 O\n0.748943 0.500000 0.500000 O\n-0.000000 -0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
            "nsites": 16,
            "nelements": 4,
            "elements": [
                "Mg",
                "Cu",
                "Sn",
                "O"
            ],
            "chemical_system": "Cu-Mg-O-Sn",
            "density": 4.418689439300348,
            "density_atomic": 0.09335169189131413,
            "volume": 171.39485825953963,
            "volume_molar": 6.451024762369976,
            "formula_full": "Mg6 Cu1 Sn1 O8",
            "formula_reduced": "Mg6CuSnO8",
            "formula_anonymous": "ABC6D8",
            "energy": -96.57846605,
            "energy_per_atom": -6.036154128125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -91.08246605,
            "band_gap": 1.6543,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0888378,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:09.052000Z",
            "spacegroup": 123
        },
        {
            "id": "mp-755216",
            "created_at": "2022-09-04T14:41:05.982247Z",
            "structure_string": "Tm2 Bi2 O6\n1.0\n5.314893 -2.974748 0.000000\n5.314893 2.974748 0.000000\n3.649925 0.000000 4.875987\nTm Bi O\n2 2 6\ndirect\n0.142997 0.142997 0.142997 Tm\n0.857003 0.857003 0.857003 Tm\n0.357922 0.357922 0.357922 Bi\n0.642078 0.642078 0.642078 Bi\n0.785553 0.010712 0.454302 O\n0.989288 0.545698 0.214447 O\n0.545698 0.214447 0.989288 O\n0.454302 0.785553 0.010712 O\n0.010712 0.454302 0.785553 O\n0.214447 0.989288 0.545698 O\n",
            "nsites": 10,
            "nelements": 3,
            "elements": [
                "Tm",
                "Bi",
                "O"
            ],
            "chemical_system": "Bi-O-Tm",
            "density": 9.174080653033887,
            "density_atomic": 0.06485788142326028,
            "volume": 154.18326625164255,
            "volume_molar": 9.28513332203949,
            "formula_full": "Tm2 Bi2 O6",
            "formula_reduced": "TmBiO3",
            "formula_anonymous": "ABC3",
            "energy": -74.55337051,
            "energy_per_atom": -7.455337050999999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -70.43137051,
            "band_gap": 2.4418,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0003227,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:11.356000Z",
            "spacegroup": 148
        },
        {
            "id": "mp-766405",
            "created_at": "2022-09-04T14:41:17.235412Z",
            "structure_string": "Li8 V4 Si4 O16\n1.0\n4.909406 0.000000 0.000000\n0.000000 6.717766 0.000000\n0.000000 0.000000 10.599052\nLi V Si O\n8 4 4 16\ndirect\n0.183336 0.001102 0.590050 Li\n0.316664 0.001102 0.090050 Li\n0.316664 0.498898 0.090050 Li\n0.183336 0.498898 0.590050 Li\n0.683336 0.501102 0.909950 Li\n0.816664 0.501102 0.409950 Li\n0.683336 0.998898 0.909950 Li\n0.816664 0.998898 0.409950 Li\n0.194388 0.250000 0.846987 V\n0.305612 0.250000 0.346987 V\n0.694388 0.750000 0.653013 V\n0.805612 0.750000 0.153013 V\n0.668639 0.250000 0.664233 Si\n0.831361 0.250000 0.164233 Si\n0.331361 0.750000 0.335767 Si\n0.168639 0.750000 0.835767 Si\n0.778473 0.045739 0.594559 O\n0.721527 0.045739 0.094559 O\n0.331577 0.250000 0.657888 O\n0.744502 0.250000 0.316166 O\n0.755498 0.250000 0.816166 O\n0.168423 0.250000 0.157888 O\n0.721527 0.454261 0.094559 O\n0.778473 0.454261 0.594559 O\n0.278473 0.545739 0.905441 O\n0.221527 0.545739 0.405441 O\n0.668423 0.750000 0.342112 O\n0.831577 0.750000 0.842112 O\n0.255498 0.750000 0.683834 O\n0.244502 0.750000 0.183834 O\n0.221527 0.954261 0.405441 O\n0.278473 0.954261 0.905441 O\n",
            "nsites": 32,
            "nelements": 4,
            "elements": [
                "Li",
                "V",
                "Si",
                "O"
            ],
            "chemical_system": "Li-O-Si-V",
            "density": 2.9814632238258,
            "density_atomic": 0.0915438418057476,
            "volume": 349.55928622596736,
            "volume_molar": 6.578422580055952,
            "formula_full": "Li8 V4 Si4 O16",
            "formula_reduced": "Li2VSiO4",
            "formula_anonymous": "ABC2D4",
            "energy": -236.21635724,
            "energy_per_atom": -7.38176116375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -218.42435724,
            "band_gap": 1.6609999999999996,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 11.9989176,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:17.374000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-1114259",
            "created_at": "2022-09-04T14:41:06.586492Z",
            "structure_string": "Na3 Rh1 F6\n1.0\n0.000000 4.175253 4.175253\n4.175253 0.000000 4.175253\n4.175253 4.175253 0.000000\nNa Rh F\n3 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Rh\n0.239116 0.239116 0.760884 F\n0.239116 0.760884 0.760884 F\n0.760884 0.760884 0.239116 F\n0.239116 0.760884 0.239116 F\n0.760884 0.239116 0.760884 F\n0.760884 0.239116 0.239116 F\n",
            "nsites": 10,
            "nelements": 3,
            "elements": [
                "Na",
                "Rh",
                "F"
            ],
            "chemical_system": "F-Na-Rh",
            "density": 3.26085916378229,
            "density_atomic": 0.06869444420699448,
            "volume": 145.5721800422078,
            "volume_molar": 8.76656158954238,
            "formula_full": "Na3 Rh1 F6",
            "formula_reduced": "Na3RhF6",
            "formula_anonymous": "AB3C6",
            "energy": -47.71215707,
            "energy_per_atom": -4.7712157070000005,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -44.94015707,
            "band_gap": 2.0631,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 5.16e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:15.328000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-1027440",
            "created_at": "2022-09-04T14:41:17.268197Z",
            "structure_string": "Mo2 W2 Se4 S4\n1.0\n1.626948 -2.817956 0.000000\n1.626948 2.817956 0.000000\n0.000000 0.000000 36.898246\nMo W Se S\n2 2 4 4\ndirect\n0.000000 0.000000 0.093912 Mo\n0.333333 0.666667 0.281769 Mo\n0.000000 0.000000 0.469677 W\n0.333333 0.666667 0.657546 W\n0.000000 0.000000 0.327758 Se\n0.333333 0.666667 0.423359 Se\n0.333333 0.666667 0.516002 Se\n0.000000 0.000000 0.235800 Se\n0.000000 0.000000 0.699539 S\n0.333333 0.666667 0.052036 S\n0.333333 0.666667 0.135800 S\n0.000000 0.000000 0.615549 S\n",
            "nsites": 12,
            "nelements": 4,
            "elements": [
                "Mo",
                "W",
                "Se",
                "S"
            ],
            "chemical_system": "Mo-S-Se-W",
            "density": 4.925974006757962,
            "density_atomic": 0.03546807746732862,
            "volume": 338.3324064027374,
            "volume_molar": 16.979044791890082,
            "formula_full": "Mo2 W2 Se4 S4",
            "formula_reduced": "MoW(SeS)2",
            "formula_anonymous": "ABC2D2",
            "energy": -90.60763192,
            "energy_per_atom": -7.550635993333334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -86.70763192,
            "band_gap": 0.569,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 5.5e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:16.467000Z",
            "spacegroup": 156
        },
        {
            "id": "mp-1212700",
            "created_at": "2022-09-04T14:41:17.340887Z",
            "structure_string": "H2 Au2 C8 N8 O4\n1.0\n8.884037 0.000000 0.000000\n0.000000 6.431666 0.000000\n0.000000 0.239322 7.387210\nH Au C N O\n2 2 8 8 4\ndirect\n0.500000 0.500000 0.000000 H\n0.000000 0.500000 0.500000 H\n0.500000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.921916 0.870918 0.774159 C\n0.078084 0.129082 0.225841 C\n0.421916 0.129082 0.725841 C\n0.578084 0.870918 0.274159 C\n0.351759 0.766212 0.538758 C\n0.648241 0.233788 0.461242 C\n0.851759 0.233788 0.961242 C\n0.148241 0.766212 0.038758 C\n0.866529 0.802147 0.645621 N\n0.133471 0.197853 0.354379 N\n0.366529 0.197853 0.854379 N\n0.633471 0.802147 0.145621 N\n0.264671 0.632773 0.561835 N\n0.735329 0.367227 0.438165 N\n0.764671 0.367227 0.938165 N\n0.235329 0.632773 0.061835 N\n0.086138 0.386404 0.589840 O\n0.913862 0.613596 0.410160 O\n0.586138 0.613596 0.910160 O\n0.413862 0.386404 0.089840 O\n",
            "nsites": 24,
            "nelements": 5,
            "elements": [
                "H",
                "Au",
                "C",
                "N",
                "O"
            ],
            "chemical_system": "Au-C-H-N-O",
            "density": 2.6282523614695914,
            "density_atomic": 0.056858703786615616,
            "volume": 422.0989646557777,
            "volume_molar": 10.59141408253066,
            "formula_full": "H2 Au2 C8 N8 O4",
            "formula_reduced": "HAuC4(N2O)2",
            "formula_anonymous": "ABC2D4E4",
            "energy": -156.85674337999998,
            "energy_per_atom": -6.535697640833333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -151.22074338,
            "band_gap": 1.162,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 7.9989946,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:17.310000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-569173",
            "created_at": "2022-09-04T14:41:33.875287Z",
            "structure_string": "Tl16 Au16 C32 N32\n1.0\n7.168034 0.000000 0.000000\n0.000000 9.209280 0.000000\n0.000000 0.000000 30.888575\nTl Au C N\n16 16 32 32\ndirect\n0.780553 0.913406 0.282730 Tl\n0.780553 0.413406 0.717270 Tl\n0.776155 0.082598 0.530686 Tl\n0.719447 0.413406 0.217270 Tl\n0.776155 0.582598 0.469314 Tl\n0.276155 0.417402 0.030686 Tl\n0.219447 0.086594 0.717270 Tl\n0.723845 0.582598 0.969314 Tl\n0.280553 0.586594 0.782730 Tl\n0.223845 0.917402 0.469314 Tl\n0.719447 0.913406 0.782730 Tl\n0.723845 0.082598 0.030686 Tl\n0.223845 0.417402 0.530686 Tl\n0.276155 0.917402 0.969314 Tl\n0.280553 0.086594 0.217270 Tl\n0.219447 0.586594 0.282730 Tl\n0.000000 0.250000 0.368489 Au\n0.497866 0.082203 0.623715 Au\n0.502134 0.417797 0.623715 Au\n0.000000 0.250000 0.878951 Au\n0.997866 0.917797 0.876285 Au\n0.502134 0.917797 0.376285 Au\n0.002134 0.582203 0.876285 Au\n0.500000 0.750000 0.131511 Au\n0.500000 0.250000 0.868489 Au\n0.500000 0.750000 0.621049 Au\n0.000000 0.750000 0.121049 Au\n0.002134 0.082203 0.123715 Au\n0.497866 0.582203 0.376285 Au\n0.500000 0.250000 0.378951 Au\n0.997866 0.417797 0.123715 Au\n0.000000 0.750000 0.631511 Au\n0.714812 0.588160 0.335596 C\n0.218738 0.086790 0.082941 C\n0.785188 0.588160 0.835596 C\n0.000000 0.750000 0.566916 C\n0.214812 0.911840 0.835596 C\n0.000000 0.750000 0.185824 C\n0.500000 0.750000 0.196271 C\n0.218738 0.586790 0.917059 C\n0.500000 0.750000 0.556147 C\n0.000000 0.250000 0.943853 C\n0.281262 0.586790 0.417059 C\n0.000000 0.250000 0.303729 C\n0.500000 0.250000 0.314176 C\n0.000000 0.750000 0.696271 C\n0.785188 0.088160 0.164404 C\n0.285188 0.411840 0.664404 C\n0.500000 0.250000 0.803729 C\n0.718738 0.913210 0.417059 C\n0.714812 0.088160 0.664404 C\n0.214812 0.411840 0.164404 C\n0.500000 0.750000 0.685824 C\n0.718738 0.413210 0.582941 C\n0.285188 0.911840 0.335596 C\n0.781262 0.413210 0.082941 C\n0.781262 0.913210 0.917059 C\n0.500000 0.750000 0.066916 C\n0.500000 0.250000 0.933084 C\n0.281262 0.086790 0.582941 C\n0.500000 0.250000 0.443853 C\n0.000000 0.250000 0.814176 C\n0.000000 0.750000 0.056147 C\n0.000000 0.250000 0.433084 C\n0.339679 0.595552 0.942562 N\n0.500000 0.750000 0.234461 N\n0.339679 0.095552 0.057438 N\n0.662350 0.098024 0.189377 N\n0.337650 0.901976 0.810623 N\n0.000000 0.750000 0.223962 N\n0.660321 0.904448 0.942562 N\n0.000000 0.750000 0.734461 N\n0.500000 0.750000 0.723962 N\n0.500000 0.250000 0.276038 N\n0.839679 0.404448 0.557438 N\n0.000000 0.250000 0.982024 N\n0.162350 0.401976 0.689377 N\n0.000000 0.250000 0.265539 N\n0.337650 0.401976 0.189377 N\n0.500000 0.250000 0.765539 N\n0.000000 0.750000 0.528731 N\n0.500000 0.750000 0.517976 N\n0.500000 0.750000 0.028731 N\n0.000000 0.250000 0.776038 N\n0.500000 0.250000 0.482024 N\n0.160321 0.595552 0.442562 N\n0.160321 0.095552 0.557438 N\n0.500000 0.250000 0.971269 N\n0.837650 0.098024 0.689377 N\n0.000000 0.750000 0.017976 N\n0.162350 0.901976 0.310623 N\n0.000000 0.250000 0.471269 N\n0.662350 0.598024 0.810623 N\n0.839679 0.904448 0.442562 N\n0.660321 0.404448 0.057438 N\n0.837650 0.598024 0.310623 N\n",
            "nsites": 96,
            "nelements": 4,
            "elements": [
                "Tl",
                "Au",
                "C",
                "N"
            ],
            "chemical_system": "Au-C-N-Tl",
            "density": 5.907616615838194,
            "density_atomic": 0.04708121107066405,
            "volume": 2039.0299615681909,
            "volume_molar": 12.790964002521912,
            "formula_full": "Tl16 Au16 C32 N32",
            "formula_reduced": "TlAu(CN)2",
            "formula_anonymous": "ABC2D2",
            "energy": -638.2933685300001,
            "energy_per_atom": -6.648889255520834,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -626.74136853,
            "band_gap": 1.7415000000000005,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0320191,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:23.214000Z",
            "spacegroup": 60
        }
    ]
}