GET /third-parties/MatprojStructure/?format=api&ordering=-is_gap_direct&page=19
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=20",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_gap_direct&page=18",
    "results": [
        {
            "id": "mp-1224318",
            "created_at": "2022-09-04T14:47:18.137655Z",
            "structure_string": "Ge1 Te2 Pb1\n1.0\n4.481614 0.000000 0.000000\n0.000000 4.481614 0.000000\n0.000000 0.000000 6.341962\nGe Te Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ge\n0.000000 0.000000 0.500000 Te\n0.500000 0.500000 0.000000 Te\n0.500000 0.500000 0.500000 Pb\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Ge",
                "Te",
                "Pb"
            ],
            "chemical_system": "Ge-Pb-Te",
            "density": 6.974977597820796,
            "density_atomic": 0.03140273393124947,
            "volume": 127.37744454853093,
            "volume_molar": 19.177122518008698,
            "formula_full": "Ge1 Te2 Pb1",
            "formula_reduced": "GeTe2Pb",
            "formula_anonymous": "ABC2",
            "energy": -16.14243541,
            "energy_per_atom": -4.0356088525,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -15.29843541,
            "band_gap": 0.2541000000000002,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0007238,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:02.732000Z",
            "spacegroup": 123
        },
        {
            "id": "mp-1192769",
            "created_at": "2022-09-04T14:47:18.365886Z",
            "structure_string": "Cs6 Tl4 Cl18\n1.0\n7.379936 -6.624583 0.000000\n7.379936 6.624583 0.000000\n1.433393 0.000000 9.812948\nCs Tl Cl\n6 4 18\ndirect\n0.750000 0.084257 0.415743 Cs\n0.415743 0.750000 0.084257 Cs\n0.084257 0.415743 0.750000 Cs\n0.250000 0.915743 0.584257 Cs\n0.584257 0.250000 0.915743 Cs\n0.915743 0.584257 0.250000 Cs\n0.649183 0.649183 0.649183 Tl\n0.350817 0.350817 0.350817 Tl\n0.149183 0.149183 0.149183 Tl\n0.850817 0.850817 0.850817 Tl\n0.750000 0.597220 0.902780 Cl\n0.902780 0.750000 0.597220 Cl\n0.597220 0.902780 0.750000 Cl\n0.250000 0.402780 0.097220 Cl\n0.097220 0.250000 0.402780 Cl\n0.402780 0.097220 0.250000 Cl\n0.761069 0.417747 0.588921 Cl\n0.588921 0.761069 0.417747 Cl\n0.417747 0.588921 0.761069 Cl\n0.238931 0.582253 0.411079 Cl\n0.411079 0.238931 0.582253 Cl\n0.582253 0.411079 0.238931 Cl\n0.917747 0.261069 0.088921 Cl\n0.261069 0.088921 0.917747 Cl\n0.088921 0.917747 0.261069 Cl\n0.082253 0.738931 0.911079 Cl\n0.738931 0.911079 0.082253 Cl\n0.911079 0.082253 0.738931 Cl\n",
            "nsites": 28,
            "nelements": 3,
            "elements": [
                "Cs",
                "Tl",
                "Cl"
            ],
            "chemical_system": "Cl-Cs-Tl",
            "density": 3.899354937892519,
            "density_atomic": 0.029182157485616707,
            "volume": 959.4904014139678,
            "volume_molar": 20.636379482799345,
            "formula_full": "Cs6 Tl4 Cl18",
            "formula_reduced": "Cs3Tl2Cl9",
            "formula_anonymous": "A2B3C9",
            "energy": -95.45397853,
            "energy_per_atom": -3.4090706617857145,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -84.40197853,
            "band_gap": 2.189,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0001491,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:06.287000Z",
            "spacegroup": 167
        },
        {
            "id": "mp-1203647",
            "created_at": "2022-09-04T14:47:14.627380Z",
            "structure_string": "Ce4 S4 O24\n1.0\n4.324459 0.000000 0.000000\n0.000000 8.750614 0.000000\n0.000000 0.000000 11.896289\nCe S O\n4 4 24\ndirect\n0.404266 0.117740 0.926300 Ce\n0.904266 0.382260 0.073700 Ce\n0.095734 0.882260 0.426300 Ce\n0.595734 0.617740 0.573700 Ce\n0.599901 0.048302 0.221616 S\n0.099901 0.451698 0.778384 S\n0.900099 0.951698 0.721616 S\n0.400099 0.548302 0.278384 S\n0.763851 0.196207 0.209909 O\n0.263851 0.303793 0.790091 O\n0.736149 0.803793 0.709909 O\n0.236149 0.696207 0.290091 O\n0.436630 0.010782 0.113782 O\n0.936630 0.489218 0.886218 O\n0.063370 0.989218 0.613782 O\n0.563370 0.510782 0.386218 O\n0.130402 0.936201 0.813550 O\n0.630402 0.563799 0.186450 O\n0.369598 0.063799 0.313550 O\n0.869598 0.436201 0.686450 O\n0.682751 0.075613 0.749321 O\n0.182751 0.424387 0.250679 O\n0.817249 0.924387 0.249321 O\n0.317249 0.575613 0.750679 O\n0.558993 0.821932 0.975665 O\n0.058993 0.678068 0.024335 O\n0.941007 0.178068 0.475665 O\n0.441007 0.321932 0.524335 O\n0.905433 0.169435 0.972027 O\n0.405433 0.330565 0.027973 O\n0.594567 0.830565 0.472027 O\n0.094567 0.669435 0.527973 O\n",
            "nsites": 32,
            "nelements": 3,
            "elements": [
                "Ce",
                "S",
                "O"
            ],
            "chemical_system": "Ce-O-S",
            "density": 3.9568487314272067,
            "density_atomic": 0.07108339490178296,
            "volume": 450.1754600243123,
            "volume_molar": 8.471937459263007,
            "formula_full": "Ce4 S4 O24",
            "formula_reduced": "CeSO6",
            "formula_anonymous": "ABC6",
            "energy": -228.00926464,
            "energy_per_atom": -7.12528952,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -211.52126464,
            "band_gap": 0.0264999999999999,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 7.9643742,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:01.493000Z",
            "spacegroup": 19
        },
        {
            "id": "mp-1041932",
            "created_at": "2022-09-04T14:47:14.344924Z",
            "structure_string": "Mg2 Co4 O8\n1.0\n-2.947976 2.947976 4.353004\n2.947976 -2.947976 4.353004\n2.947976 2.947976 -4.353004\nMg Co O\n2 4 8\ndirect\n0.250000 0.750000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.875000 0.625000 0.750000 Co\n0.875000 0.125000 0.250000 Co\n0.375000 0.125000 0.250000 Co\n0.875000 0.125000 0.750000 Co\n0.622395 0.368429 0.716764 O\n0.094369 0.377605 0.746035 O\n0.631571 0.348334 0.253966 O\n0.098334 0.344369 0.216764 O\n0.118429 0.901666 0.246035 O\n0.655631 0.872395 0.753965 O\n0.651666 0.905631 0.283236 O\n0.127605 0.881571 0.783236 O\n",
            "nsites": 14,
            "nelements": 3,
            "elements": [
                "Mg",
                "Co",
                "O"
            ],
            "chemical_system": "Co-Mg-O",
            "density": 4.524863597368593,
            "density_atomic": 0.09251903430675631,
            "volume": 151.3202132393813,
            "volume_molar": 6.509083028291212,
            "formula_full": "Mg2 Co4 O8",
            "formula_reduced": "Mg(CoO2)2",
            "formula_anonymous": "AB2C4",
            "energy": -95.58603966,
            "energy_per_atom": -6.8275742614285715,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -83.53803966,
            "band_gap": 0.2669000000000001,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 6.89e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:00.155000Z",
            "spacegroup": 88
        },
        {
            "id": "mp-1202177",
            "created_at": "2022-09-04T14:47:18.294846Z",
            "structure_string": "Rb4 Na32 Ga12 P24\n1.0\n4.742666 0.000000 0.000000\n0.000000 16.486729 0.000000\n0.000000 0.000000 22.450695\nRb Na Ga P\n4 32 12 24\ndirect\n0.250000 0.808038 0.500489 Rb\n0.250000 0.691962 0.000489 Rb\n0.750000 0.191962 0.499511 Rb\n0.750000 0.308038 0.999511 Rb\n0.250000 0.032531 0.551997 Na\n0.250000 0.467469 0.051997 Na\n0.750000 0.967469 0.448003 Na\n0.750000 0.532531 0.948003 Na\n0.250000 0.350957 0.556643 Na\n0.250000 0.149043 0.056643 Na\n0.750000 0.649043 0.443357 Na\n0.750000 0.850957 0.943357 Na\n0.250000 0.922069 0.680896 Na\n0.250000 0.577931 0.180896 Na\n0.750000 0.077931 0.319104 Na\n0.750000 0.422069 0.819104 Na\n0.250000 0.692675 0.680865 Na\n0.250000 0.807325 0.180865 Na\n0.750000 0.307325 0.319135 Na\n0.750000 0.192675 0.819135 Na\n0.250000 0.456430 0.692124 Na\n0.250000 0.043570 0.192124 Na\n0.750000 0.543570 0.307876 Na\n0.750000 0.956430 0.807876 Na\n0.250000 0.800130 0.837061 Na\n0.250000 0.699870 0.337061 Na\n0.750000 0.199870 0.162939 Na\n0.750000 0.300130 0.662939 Na\n0.250000 0.580118 0.840688 Na\n0.250000 0.919882 0.340688 Na\n0.750000 0.419882 0.159312 Na\n0.750000 0.080118 0.659312 Na\n0.250000 0.943245 0.039411 Na\n0.250000 0.556755 0.539411 Na\n0.750000 0.056755 0.960589 Na\n0.750000 0.443245 0.460589 Na\n0.250000 0.190831 0.716416 Ga\n0.250000 0.309169 0.216416 Ga\n0.750000 0.809169 0.283584 Ga\n0.750000 0.690831 0.783584 Ga\n0.250000 0.069243 0.864549 Ga\n0.250000 0.430757 0.364549 Ga\n0.750000 0.930757 0.135451 Ga\n0.750000 0.569243 0.635451 Ga\n0.250000 0.309359 0.872871 Ga\n0.250000 0.190641 0.372871 Ga\n0.750000 0.690641 0.127129 Ga\n0.750000 0.809359 0.627129 Ga\n0.250000 0.192029 0.615546 P\n0.250000 0.307971 0.115546 P\n0.750000 0.807971 0.384454 P\n0.750000 0.692029 0.884454 P\n0.250000 0.064314 0.761504 P\n0.250000 0.435686 0.261504 P\n0.750000 0.935686 0.238496 P\n0.750000 0.564314 0.738496 P\n0.250000 0.313120 0.768367 P\n0.250000 0.186880 0.268367 P\n0.750000 0.686880 0.231633 P\n0.750000 0.813120 0.731633 P\n0.250000 0.945606 0.910231 P\n0.250000 0.554394 0.410231 P\n0.750000 0.054394 0.089769 P\n0.750000 0.445606 0.589769 P\n0.250000 0.434186 0.917083 P\n0.250000 0.065814 0.417083 P\n0.750000 0.565814 0.082917 P\n0.750000 0.934186 0.582917 P\n0.250000 0.184666 0.923871 P\n0.250000 0.315334 0.423871 P\n0.750000 0.815334 0.076129 P\n0.750000 0.684666 0.576129 P\n",
            "nsites": 72,
            "nelements": 4,
            "elements": [
                "Rb",
                "Na",
                "Ga",
                "P"
            ],
            "chemical_system": "Ga-Na-P-Rb",
            "density": 2.5139131263560577,
            "density_atomic": 0.04101527865888476,
            "volume": 1755.4433946141996,
            "volume_molar": 14.682676692470745,
            "formula_full": "Rb4 Na32 Ga12 P24",
            "formula_reduced": "RbNa8(GaP2)3",
            "formula_anonymous": "AB3C6D8",
            "energy": -242.60472939,
            "energy_per_atom": -3.3695101304166664,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -242.60472939,
            "band_gap": 0.904,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0060737,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:03.967000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-555858",
            "created_at": "2022-09-04T14:47:18.280901Z",
            "structure_string": "Zn10 S10\n1.0\n31.512598 -1.931629 0.000000\n31.512598 1.931629 0.000000\n31.394195 0.000000 3.343584\nZn S\n10 10\ndirect\n0.899980 0.899980 0.899980 Zn\n0.199994 0.199994 0.199994 Zn\n0.100004 0.100004 0.100004 Zn\n0.633301 0.633301 0.633301 Zn\n0.700008 0.700008 0.700008 Zn\n0.799989 0.799989 0.799989 Zn\n0.500010 0.500010 0.500010 Zn\n0.999993 0.999993 0.999993 Zn\n0.400007 0.400007 0.400007 Zn\n0.266651 0.266651 0.266651 Zn\n0.224964 0.224964 0.224964 S\n0.724994 0.724994 0.724994 S\n0.525002 0.525002 0.525002 S\n0.425004 0.425004 0.425004 S\n0.824990 0.824990 0.824990 S\n0.924992 0.924992 0.924992 S\n0.658286 0.658286 0.658286 S\n0.291628 0.291628 0.291628 S\n0.124992 0.124992 0.124992 S\n0.025011 0.025011 0.025011 S\n",
            "nsites": 20,
            "nelements": 2,
            "elements": [
                "Zn",
                "S"
            ],
            "chemical_system": "S-Zn",
            "density": 3.976378579589337,
            "density_atomic": 0.04913374136613083,
            "volume": 407.0522505291348,
            "volume_molar": 12.256629746806173,
            "formula_full": "Zn10 S10",
            "formula_reduced": "ZnS",
            "formula_anonymous": "AB",
            "energy": -74.19995805,
            "energy_per_atom": -3.7099979025000005,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -69.16995805,
            "band_gap": 2.0194,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 1.18e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:07.157000Z",
            "spacegroup": 160
        },
        {
            "id": "mp-1211248",
            "created_at": "2022-09-04T14:47:13.984221Z",
            "structure_string": "Li12 Tm12 Te8 O48\n1.0\n-6.154119 6.154119 6.154119\n6.154119 -6.154119 6.154119\n6.154119 6.154119 -6.154119\nLi Tm Te O\n12 12 8 48\ndirect\n0.250000 0.625000 0.375000 Li\n0.750000 0.375000 0.625000 Li\n0.750000 0.875000 0.125000 Li\n0.375000 0.250000 0.625000 Li\n0.625000 0.750000 0.375000 Li\n0.250000 0.125000 0.875000 Li\n0.125000 0.750000 0.875000 Li\n0.875000 0.250000 0.125000 Li\n0.625000 0.375000 0.250000 Li\n0.375000 0.625000 0.750000 Li\n0.875000 0.125000 0.750000 Li\n0.125000 0.875000 0.250000 Li\n0.250000 0.375000 0.125000 Tm\n0.750000 0.625000 0.875000 Tm\n0.750000 0.125000 0.375000 Tm\n0.125000 0.250000 0.375000 Tm\n0.375000 0.750000 0.125000 Tm\n0.250000 0.875000 0.625000 Tm\n0.875000 0.750000 0.625000 Tm\n0.625000 0.250000 0.875000 Tm\n0.375000 0.125000 0.250000 Tm\n0.625000 0.875000 0.750000 Tm\n0.125000 0.375000 0.750000 Tm\n0.875000 0.625000 0.250000 Tm\n0.000000 0.000000 0.000000 Te\n0.500000 0.000000 0.500000 Te\n0.000000 0.500000 0.500000 Te\n0.500000 0.000000 0.000000 Te\n0.500000 0.500000 0.000000 Te\n0.500000 0.500000 0.500000 Te\n0.000000 0.000000 0.500000 Te\n0.000000 0.500000 0.000000 Te\n0.471049 0.377219 0.299016 O\n0.528951 0.622781 0.700984 O\n0.578203 0.172033 0.200984 O\n0.921797 0.122781 0.593830 O\n0.299016 0.471049 0.377219 O\n0.327967 0.921797 0.299016 O\n0.421797 0.827967 0.799016 O\n0.078203 0.877219 0.406170 O\n0.700984 0.528951 0.622781 O\n0.672033 0.078203 0.700984 O\n0.028951 0.327967 0.906170 O\n0.200984 0.578203 0.172033 O\n0.122781 0.028951 0.200984 O\n0.971049 0.672033 0.093830 O\n0.799016 0.421797 0.827967 O\n0.877219 0.971049 0.799016 O\n0.593830 0.921797 0.122781 O\n0.172033 0.471049 0.593830 O\n0.406170 0.078203 0.877219 O\n0.827967 0.528951 0.406170 O\n0.906170 0.028951 0.327967 O\n0.377219 0.578203 0.906170 O\n0.093830 0.971049 0.672033 O\n0.622781 0.421797 0.093830 O\n0.377219 0.299016 0.471049 O\n0.578203 0.906170 0.377219 O\n0.622781 0.700984 0.528951 O\n0.421797 0.093830 0.622781 O\n0.122781 0.593830 0.921797 O\n0.028951 0.200984 0.122781 O\n0.877219 0.406170 0.078203 O\n0.971049 0.799016 0.877219 O\n0.327967 0.906170 0.028951 O\n0.921797 0.299016 0.327967 O\n0.672033 0.093830 0.971049 O\n0.078203 0.700984 0.672033 O\n0.172033 0.200984 0.578203 O\n0.471049 0.593830 0.172033 O\n0.827967 0.799016 0.421797 O\n0.528951 0.406170 0.827967 O\n0.299016 0.327967 0.921797 O\n0.700984 0.672033 0.078203 O\n0.200984 0.122781 0.028951 O\n0.799016 0.877219 0.971049 O\n0.906170 0.377219 0.578203 O\n0.093830 0.622781 0.421797 O\n0.593830 0.172033 0.471049 O\n0.406170 0.827967 0.528951 O\n",
            "nsites": 80,
            "nelements": 4,
            "elements": [
                "Li",
                "Tm",
                "Te",
                "O"
            ],
            "chemical_system": "Li-O-Te-Tm",
            "density": 6.945046526015191,
            "density_atomic": 0.08580889833784938,
            "volume": 932.3042429122162,
            "volume_molar": 7.018084227453248,
            "formula_full": "Li12 Tm12 Te8 O48",
            "formula_reduced": "Li3Tm3(TeO6)2",
            "formula_anonymous": "A2B3C3D12",
            "energy": -562.66528164,
            "energy_per_atom": -7.0333160205,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -529.68928164,
            "band_gap": 3.1382,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0382388,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:59.197000Z",
            "spacegroup": 230
        },
        {
            "id": "mp-558938",
            "created_at": "2022-09-04T14:47:18.374517Z",
            "structure_string": "Zn16 Si4 Te4 Pb4 O40\n1.0\n6.622298 0.000000 0.000000\n0.000000 8.413329 0.000000\n0.000000 0.000000 15.842037\nZn Si Te Pb O\n16 4 4 4 40\ndirect\n0.714438 0.228770 0.363890 Zn\n0.529399 0.877854 0.433775 Zn\n0.785562 0.728770 0.863890 Zn\n0.214438 0.271230 0.136110 Zn\n0.470601 0.122146 0.933775 Zn\n0.970601 0.377854 0.566225 Zn\n0.029399 0.622146 0.066225 Zn\n0.970601 0.377854 0.933775 Zn\n0.029399 0.622146 0.433775 Zn\n0.785562 0.728770 0.636110 Zn\n0.214438 0.271230 0.363890 Zn\n0.470601 0.122146 0.566225 Zn\n0.285562 0.771230 0.636110 Zn\n0.285562 0.771230 0.863890 Zn\n0.529399 0.877854 0.066225 Zn\n0.714438 0.228770 0.136110 Zn\n0.065856 0.510672 0.750000 Si\n0.934144 0.489328 0.250000 Si\n0.434144 0.010672 0.250000 Si\n0.565856 0.989328 0.750000 Si\n0.000000 0.000000 0.500000 Te\n0.500000 0.500000 0.000000 Te\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.500000 Te\n0.055883 0.089979 0.750000 Pb\n0.555883 0.410021 0.750000 Pb\n0.444117 0.589979 0.250000 Pb\n0.944117 0.910021 0.250000 Pb\n0.473496 0.657811 0.089558 O\n0.084239 0.481814 0.333026 O\n0.524741 0.670322 0.914161 O\n0.024741 0.829678 0.585839 O\n0.024741 0.829678 0.914161 O\n0.220071 0.666643 0.750000 O\n0.206976 0.505866 0.515024 O\n0.026504 0.157811 0.589558 O\n0.526504 0.342189 0.910442 O\n0.793024 0.494134 0.015024 O\n0.779929 0.333357 0.250000 O\n0.305633 0.844755 0.250000 O\n0.973496 0.842189 0.410442 O\n0.975259 0.170322 0.414161 O\n0.805633 0.655245 0.250000 O\n0.720071 0.833357 0.750000 O\n0.473496 0.657811 0.410442 O\n0.694367 0.155245 0.750000 O\n0.524741 0.670322 0.585839 O\n0.915761 0.518186 0.833026 O\n0.415761 0.981814 0.666974 O\n0.293024 0.005866 0.484976 O\n0.584239 0.018186 0.333026 O\n0.526504 0.342189 0.589558 O\n0.475259 0.329678 0.085839 O\n0.415761 0.981814 0.833026 O\n0.206976 0.505866 0.984976 O\n0.584239 0.018186 0.166974 O\n0.293024 0.005866 0.015024 O\n0.194367 0.344755 0.750000 O\n0.026504 0.157811 0.910442 O\n0.475259 0.329678 0.414161 O\n0.084239 0.481814 0.166974 O\n0.973496 0.842189 0.089558 O\n0.915761 0.518186 0.666974 O\n0.706976 0.994134 0.515024 O\n0.793024 0.494134 0.484976 O\n0.279929 0.166643 0.250000 O\n0.975259 0.170322 0.085839 O\n0.706976 0.994134 0.984976 O\n",
            "nsites": 68,
            "nelements": 5,
            "elements": [
                "Zn",
                "Si",
                "Te",
                "Pb",
                "O"
            ],
            "chemical_system": "O-Pb-Si-Te-Zn",
            "density": 5.9036826212989,
            "density_atomic": 0.07704089108780371,
            "volume": 882.6481500908423,
            "volume_molar": 7.816810884412733,
            "formula_full": "Zn16 Si4 Te4 Pb4 O40",
            "formula_reduced": "Zn4SiTePbO10",
            "formula_anonymous": "ABCD4E10",
            "energy": -402.64647366,
            "energy_per_atom": -5.921271671470588,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -375.16647366,
            "band_gap": 2.160200000000001,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0015086,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:06.929000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-1031588",
            "created_at": "2022-09-04T14:47:14.659790Z",
            "structure_string": "Mg6 V1 Cr1 O8\n1.0\n8.806959 0.000000 0.000000\n0.000000 4.271217 0.000000\n0.000000 0.000000 4.271217\nMg V Cr O\n6 1 1 8\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.246851 0.000000 0.500000 Mg\n0.753149 0.000000 0.500000 Mg\n0.246851 0.500000 0.000000 Mg\n0.753149 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 V\n0.500000 0.000000 0.000000 Cr\n0.243732 0.000000 0.000000 O\n0.756268 0.000000 0.000000 O\n0.251085 0.500000 0.500000 O\n0.748915 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
            "nsites": 16,
            "nelements": 4,
            "elements": [
                "Mg",
                "V",
                "Cr",
                "O"
            ],
            "chemical_system": "Cr-Mg-O-V",
            "density": 3.89392754199011,
            "density_atomic": 0.09958426798063502,
            "volume": 160.66794810512974,
            "volume_molar": 6.047281244434165,
            "formula_full": "Mg6 V1 Cr1 O8",
            "formula_reduced": "Mg6VCrO8",
            "formula_anonymous": "ABC6D8",
            "energy": -111.76191538,
            "energy_per_atom": -6.98511971125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -102.56691538,
            "band_gap": 0.8621999999999996,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 6.9999998,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:57.461000Z",
            "spacegroup": 123
        },
        {
            "id": "mp-1223458",
            "created_at": "2022-09-04T14:47:14.542259Z",
            "structure_string": "K1 Ba1 Y1 B2 O6\n1.0\n-2.736902 -4.740589 0.000047\n2.737020 -4.740658 0.000000\n-0.000011 -3.160444 6.056985\nK Ba Y B O\n1 1 1 2 6\ndirect\n0.780247 0.780306 0.659141 K\n0.207713 0.207727 0.376834 Ba\n0.002083 0.002065 0.993787 Y\n0.413276 0.413286 0.760152 B\n0.589851 0.589825 0.230499 B\n0.707021 0.265963 0.761053 O\n0.265947 0.265979 0.761045 O\n0.265947 0.707028 0.761045 O\n0.296078 0.735892 0.232137 O\n0.735918 0.735879 0.232154 O\n0.735918 0.296050 0.232154 O\n",
            "nsites": 11,
            "nelements": 5,
            "elements": [
                "K",
                "Ba",
                "Y",
                "B",
                "O"
            ],
            "chemical_system": "B-Ba-K-O-Y",
            "density": 4.045770249911068,
            "density_atomic": 0.06998472182459813,
            "volume": 157.17716257512845,
            "volume_molar": 8.604936338952978,
            "formula_full": "K1 Ba1 Y1 B2 O6",
            "formula_reduced": "KBaY(BO3)2",
            "formula_anonymous": "ABCD2E6",
            "energy": -87.56201778,
            "energy_per_atom": -7.960183434545455,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -83.44001778,
            "band_gap": 3.9314,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0002428,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:04.017000Z",
            "spacegroup": 160
        },
        {
            "id": "mp-1224806",
            "created_at": "2022-09-04T14:47:21.931740Z",
            "structure_string": "K10 Al2 Cr8 Mo20 O80\n1.0\n0.001930 5.766410 -0.000760\n15.633902 0.000291 37.271785\n7.797633 2.886375 -4.373822\nK Al Cr Mo O\n10 2 8 20 80\ndirect\n0.962881 0.150014 0.700001 K\n0.162827 0.350001 0.299715 K\n0.362826 0.549982 0.899734 K\n0.562935 0.750002 0.499985 K\n0.762898 0.949998 0.100021 K\n0.237065 0.049998 0.900015 K\n0.437174 0.250018 0.500266 K\n0.637173 0.449999 0.100285 K\n0.837119 0.649986 0.699999 K\n0.037102 0.850002 0.299979 K\n0.300011 0.300000 0.900000 Al\n0.499989 0.500000 0.500000 Al\n0.499906 0.000039 0.500077 Cr\n0.699806 0.200081 0.099877 Cr\n0.900000 0.400000 0.700000 Cr\n0.100194 0.599919 0.300123 Cr\n0.300094 0.799961 0.899923 Cr\n0.100030 0.100010 0.299998 Cr\n0.699970 0.699990 0.100002 Cr\n0.900000 0.900000 0.700000 Cr\n0.568036 0.146914 0.407128 Mo\n0.768551 0.346245 0.006647 Mo\n0.968535 0.546234 0.606656 Mo\n0.168005 0.746903 0.207165 Mo\n0.368035 0.946909 0.807123 Mo\n0.275097 0.153101 0.992849 Mo\n0.473523 0.352733 0.595837 Mo\n0.673603 0.552722 0.195818 Mo\n0.875184 0.753085 0.792844 Mo\n0.075152 0.953096 0.392833 Mo\n0.631995 0.053097 0.192835 Mo\n0.831465 0.253766 0.793344 Mo\n0.031449 0.453755 0.393353 Mo\n0.231964 0.653086 0.992872 Mo\n0.431965 0.853091 0.592877 Mo\n0.924816 0.046915 0.607156 Mo\n0.126397 0.247278 0.204182 Mo\n0.326477 0.447267 0.804163 Mo\n0.524903 0.646899 0.407151 Mo\n0.724848 0.846904 0.007167 Mo\n0.660790 0.163870 0.230525 O\n0.859953 0.363794 0.831681 O\n0.060000 0.563761 0.431706 O\n0.260870 0.763822 0.030547 O\n0.460836 0.963852 0.630550 O\n0.191396 0.136167 0.169437 O\n0.388833 0.334838 0.771309 O\n0.588839 0.534835 0.371311 O\n0.791377 0.736159 0.969446 O\n0.991403 0.936164 0.569433 O\n0.539130 0.036178 0.369453 O\n0.740000 0.236239 0.968294 O\n0.940047 0.436206 0.568319 O\n0.139210 0.636130 0.169475 O\n0.339164 0.836148 0.769450 O\n0.008623 0.063841 0.430554 O\n0.211161 0.265165 0.028689 O\n0.411167 0.465162 0.628691 O\n0.608604 0.663833 0.230563 O\n0.808597 0.863836 0.830567 O\n0.443844 0.178583 0.553125 O\n0.645577 0.378156 0.152105 O\n0.845608 0.578157 0.752112 O\n0.043868 0.778584 0.353139 O\n0.243866 0.978585 0.953133 O\n0.297051 0.121417 0.846878 O\n0.496881 0.321545 0.447725 O\n0.696895 0.521541 0.047716 O\n0.897046 0.721413 0.646874 O\n0.097062 0.921415 0.246867 O\n0.756132 0.021416 0.046861 O\n0.954392 0.221843 0.647888 O\n0.154423 0.421844 0.247895 O\n0.356156 0.621417 0.846875 O\n0.556134 0.821415 0.446867 O\n0.902954 0.078587 0.753126 O\n0.103105 0.278459 0.352284 O\n0.303119 0.478455 0.952275 O\n0.502949 0.678583 0.553122 O\n0.702938 0.878585 0.153133 O\n0.830505 0.128950 0.445691 O\n0.037832 0.327998 0.038649 O\n0.237838 0.527993 0.638640 O\n0.430516 0.728942 0.245680 O\n0.630510 0.928947 0.845679 O\n0.576217 0.171058 0.954367 O\n0.774503 0.370933 0.555160 O\n0.974533 0.570932 0.155125 O\n0.176277 0.771045 0.754264 O\n0.376215 0.971069 0.354385 O\n0.369484 0.071058 0.154320 O\n0.562162 0.272007 0.761360 O\n0.762168 0.472002 0.361351 O\n0.969495 0.671050 0.954309 O\n0.169490 0.871053 0.554321 O\n0.623723 0.028955 0.645736 O\n0.825467 0.229068 0.244875 O\n0.025497 0.429067 0.844840 O\n0.223783 0.628942 0.445633 O\n0.423785 0.828931 0.045615 O\n0.332283 0.116501 0.411674 O\n0.527732 0.316552 0.007547 O\n0.727716 0.516548 0.607538 O\n0.932265 0.716496 0.211644 O\n0.132288 0.916498 0.811654 O\n0.043878 0.183514 0.988357 O\n0.244631 0.383333 0.588966 O\n0.444735 0.583321 0.188945 O\n0.644037 0.783495 0.788289 O\n0.843925 0.983510 0.388367 O\n0.867735 0.083504 0.188356 O\n0.072284 0.283452 0.792462 O\n0.272268 0.483448 0.392453 O\n0.467717 0.683499 0.988326 O\n0.667712 0.883502 0.588346 O\n0.155963 0.016505 0.611711 O\n0.355265 0.216679 0.211055 O\n0.555369 0.416667 0.811034 O\n0.756122 0.616486 0.411643 O\n0.956075 0.816490 0.011633 O\n",
            "nsites": 120,
            "nelements": 5,
            "elements": [
                "K",
                "Al",
                "Cr",
                "Mo",
                "O"
            ],
            "chemical_system": "Al-Cr-K-Mo-O",
            "density": 3.2566886831843984,
            "density_atomic": 0.05797196152785774,
            "volume": 2069.966184296445,
            "volume_molar": 10.388023108561079,
            "formula_full": "K10 Al2 Cr8 Mo20 O80",
            "formula_reduced": "K5AlCr4(MoO4)10",
            "formula_anonymous": "AB4C5D10E40",
            "energy": -971.4470998,
            "energy_per_atom": -8.095392498333334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -836.4550998,
            "band_gap": 2.7593,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 24.0130756,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:04.073000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-2064",
            "created_at": "2022-09-04T14:47:19.033907Z",
            "structure_string": "Rb1 F1\n1.0\n3.454966 0.000000 0.000000\n0.000000 3.454966 0.000000\n0.000000 0.000000 3.454966\nRb F\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 F\n",
            "nsites": 2,
            "nelements": 2,
            "elements": [
                "Rb",
                "F"
            ],
            "chemical_system": "F-Rb",
            "density": 4.206235403562466,
            "density_atomic": 0.04849518964560639,
            "volume": 41.241203810431905,
            "volume_molar": 12.418016722913464,
            "formula_full": "Rb1 F1",
            "formula_reduced": "RbF",
            "formula_anonymous": "AB",
            "energy": -8.44215605,
            "energy_per_atom": -4.221078025,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -7.98015605,
            "band_gap": 5.905,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0015394,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:06.751000Z",
            "spacegroup": 221
        }
    ]
}