GET /third-parties/MatprojStructure/?format=api&ordering=-is_gap_direct&page=12185
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=12186",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_gap_direct&page=12184",
    "results": [
        {
            "id": "mp-541138",
            "created_at": "2022-09-04T14:48:12.832530Z",
            "structure_string": "Nb1 Fe1 F6\n1.0\n5.038046 -2.749877 0.000000\n5.038046 2.749877 0.000000\n3.537102 0.000000 4.520247\nNb Fe F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Fe\n0.167405 0.341848 0.743948 F\n0.341848 0.743948 0.167405 F\n0.743948 0.167405 0.341848 F\n0.832595 0.658152 0.256052 F\n0.658152 0.256052 0.832595 F\n0.256052 0.832595 0.658152 F\n",
            "nsites": 8,
            "nelements": 3,
            "elements": [
                "Nb",
                "Fe",
                "F"
            ],
            "chemical_system": "F-Fe-Nb",
            "density": 3.4834590346353664,
            "density_atomic": 0.063873751978227,
            "volume": 125.24706553526093,
            "volume_molar": 9.428193230378575,
            "formula_full": "Nb1 Fe1 F6",
            "formula_reduced": "NbFeF6",
            "formula_anonymous": "ABC6",
            "energy": -53.18429102,
            "energy_per_atom": -6.6480363775,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -48.15629102,
            "band_gap": 0.0892000000000001,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 3.0000003,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:37.873000Z",
            "spacegroup": 148
        },
        {
            "id": "mp-1184675",
            "created_at": "2022-09-04T14:48:12.835254Z",
            "structure_string": "Hf2 H6\n1.0\n2.374634 -4.112987 0.000000\n2.374634 4.112987 0.000000\n0.000000 0.000000 3.203270\nHf H\n2 6\ndirect\n0.333333 0.666667 0.750000 Hf\n0.666667 0.333333 0.250000 Hf\n0.181019 0.362037 0.250000 H\n0.637963 0.818981 0.250000 H\n0.181019 0.818981 0.250000 H\n0.818981 0.637963 0.750000 H\n0.362037 0.181019 0.750000 H\n0.818981 0.181019 0.750000 H\n",
            "nsites": 8,
            "nelements": 2,
            "elements": [
                "Hf",
                "H"
            ],
            "chemical_system": "H-Hf",
            "density": 9.634101759551244,
            "density_atomic": 0.12785344259127163,
            "volume": 62.571643264818505,
            "volume_molar": 4.710190541565537,
            "formula_full": "Hf2 H6",
            "formula_reduced": "HfH3",
            "formula_anonymous": "AB3",
            "energy": -42.98327477,
            "energy_per_atom": -5.37290934625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -41.90927477,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 3.5e-06,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:33.698000Z",
            "spacegroup": 194
        },
        {
            "id": "mp-1028107",
            "created_at": "2022-09-04T14:48:12.837197Z",
            "structure_string": "Na1 Mg14 Mn1\n1.0\n6.400558 -0.013740 0.000000\n-3.212179 5.563656 0.000000\n0.000000 0.000000 10.239118\nNa Mg Mn\n1 14 1\ndirect\n0.166642 0.833321 0.125000 Na\n0.166849 0.333424 0.625000 Mg\n0.167425 0.833712 0.625000 Mg\n0.664716 0.333167 0.125000 Mg\n0.666136 0.332761 0.625000 Mg\n0.664716 0.831548 0.125000 Mg\n0.666136 0.833373 0.625000 Mg\n0.331896 0.171776 0.373628 Mg\n0.331896 0.171776 0.876372 Mg\n0.331896 0.660121 0.373628 Mg\n0.331896 0.660121 0.876372 Mg\n0.838678 0.169339 0.370128 Mg\n0.838678 0.169339 0.879872 Mg\n0.830785 0.665393 0.378824 Mg\n0.830785 0.665393 0.871176 Mg\n0.170874 0.335437 0.125000 Mn\n",
            "nsites": 16,
            "nelements": 3,
            "elements": [
                "Na",
                "Mg",
                "Mn"
            ],
            "chemical_system": "Mg-Mn-Na",
            "density": 1.9069038494064987,
            "density_atomic": 0.043935737619868194,
            "volume": 364.16823448901505,
            "volume_molar": 13.706702302584594,
            "formula_full": "Na1 Mg14 Mn1",
            "formula_reduced": "NaMg14Mn",
            "formula_anonymous": "ABC14",
            "energy": -31.45427012,
            "energy_per_atom": -1.9658918825,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -31.45427012,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 3.9261182,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:33.428000Z",
            "spacegroup": 38
        },
        {
            "id": "mp-1079159",
            "created_at": "2022-09-04T14:48:12.845521Z",
            "structure_string": "Ta4 O6\n1.0\n1.418943 5.960737 0.000000\n-1.418943 5.960737 0.000000\n0.000000 3.069180 6.947964\nTa O\n4 6\ndirect\n0.164007 0.164007 0.155498 Ta\n0.835993 0.835993 0.844502 Ta\n0.340318 0.340318 0.357192 Ta\n0.659682 0.659682 0.642808 Ta\n0.138285 0.138285 0.444590 O\n0.861715 0.861715 0.555410 O\n0.186752 0.186752 0.846495 O\n0.813248 0.813248 0.153505 O\n0.473453 0.473453 0.792178 O\n0.526547 0.526547 0.207822 O\n",
            "nsites": 10,
            "nelements": 2,
            "elements": [
                "Ta",
                "O"
            ],
            "chemical_system": "O-Ta",
            "density": 11.582388993307815,
            "density_atomic": 0.08508392863227203,
            "volume": 117.53100921349599,
            "volume_molar": 7.077882811485298,
            "formula_full": "Ta4 O6",
            "formula_reduced": "Ta2O3",
            "formula_anonymous": "A2B3",
            "energy": -103.10498911,
            "energy_per_atom": -10.310498911,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -98.98298911,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.001721,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:39.153000Z",
            "spacegroup": 12
        },
        {
            "id": "mp-1210242",
            "created_at": "2022-09-04T14:48:12.855085Z",
            "structure_string": "Na10 Tb2 O12\n1.0\n5.173574 3.003238 0.000000\n-5.173574 3.003238 0.000000\n0.000000 2.020351 11.007199\nNa Tb O\n10 2 12\ndirect\n0.584168 0.415832 0.750000 Na\n0.415832 0.584168 0.250000 Na\n0.251710 0.748290 0.750000 Na\n0.748290 0.251710 0.250000 Na\n0.500000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Na\n0.643479 0.821352 0.500716 Na\n0.356521 0.178648 0.499284 Na\n0.178648 0.356521 0.999284 Na\n0.821352 0.643479 0.000716 Na\n0.916043 0.083957 0.750000 Tb\n0.083957 0.916043 0.250000 Tb\n0.647479 0.122483 0.630763 O\n0.352521 0.877517 0.369237 O\n0.877517 0.352521 0.869237 O\n0.122483 0.647479 0.130763 O\n0.570650 0.733558 0.868129 O\n0.429350 0.266442 0.131871 O\n0.266442 0.429350 0.631871 O\n0.733558 0.570650 0.368129 O\n0.814106 0.956671 0.133038 O\n0.185894 0.043329 0.866962 O\n0.043329 0.185894 0.366962 O\n0.956671 0.814106 0.633038 O\n",
            "nsites": 24,
            "nelements": 3,
            "elements": [
                "Na",
                "Tb",
                "O"
            ],
            "chemical_system": "Na-O-Tb",
            "density": 3.591217188395718,
            "density_atomic": 0.07016556263586532,
            "volume": 342.0481372685856,
            "volume_molar": 8.582758455530103,
            "formula_full": "Na10 Tb2 O12",
            "formula_reduced": "Na5TbO6",
            "formula_anonymous": "AB5C6",
            "energy": -123.64740976,
            "energy_per_atom": -5.151975406666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -115.40340976000002,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 7.9991356,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:28.995000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-546757",
            "created_at": "2022-09-04T14:48:13.110865Z",
            "structure_string": "Sn3 P1 O4 F3\n1.0\n3.848697 -6.084911 0.000000\n3.848697 6.084911 0.000000\n-5.771739 0.000000 4.304142\nSn P O F\n3 1 4 3\ndirect\n0.723318 0.371590 0.372526 Sn\n0.371590 0.372526 0.723318 Sn\n0.372526 0.723318 0.371590 Sn\n0.991407 0.991407 0.991407 P\n0.325381 0.325381 0.325381 O\n0.035647 0.824596 0.824829 O\n0.824829 0.035647 0.824596 O\n0.824596 0.824829 0.035647 O\n0.175493 0.638857 0.515358 F\n0.638857 0.515358 0.175493 F\n0.515358 0.175493 0.638857 F\n",
            "nsites": 11,
            "nelements": 4,
            "elements": [
                "Sn",
                "P",
                "O",
                "F"
            ],
            "chemical_system": "F-O-P-Sn",
            "density": 4.185148028632289,
            "density_atomic": 0.05456424455910845,
            "volume": 201.59721973395784,
            "volume_molar": 11.03678940056858,
            "formula_full": "Sn3 P1 O4 F3",
            "formula_reduced": "Sn3PO4F3",
            "formula_anonymous": "AB3C3D4",
            "energy": -69.51075456,
            "energy_per_atom": -6.319159505454545,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -65.37675456,
            "band_gap": 3.7843,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 2.53e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:36.425000Z",
            "spacegroup": 146
        },
        {
            "id": "mp-1213172",
            "created_at": "2022-09-04T14:48:12.824938Z",
            "structure_string": "Cs2 Tm2 Mo4 O16\n1.0\n5.073854 0.000000 0.000000\n0.000000 8.061053 0.000000\n0.000000 0.000000 9.599453\nCs Tm Mo O\n2 2 4 16\ndirect\n0.000000 0.250000 0.500000 Cs\n0.000000 0.750000 0.500000 Cs\n0.000000 0.250000 0.000000 Tm\n0.000000 0.750000 0.000000 Tm\n0.521867 0.000000 0.193639 Mo\n0.478133 0.000000 0.806361 Mo\n0.478133 0.500000 0.193639 Mo\n0.521867 0.500000 0.806361 Mo\n0.245386 0.000000 0.064489 O\n0.754614 0.000000 0.935511 O\n0.754614 0.500000 0.064489 O\n0.245386 0.500000 0.935511 O\n0.258254 0.323274 0.184489 O\n0.741746 0.676726 0.815511 O\n0.741746 0.323274 0.815511 O\n0.741746 0.176726 0.184489 O\n0.258254 0.676726 0.184489 O\n0.258254 0.823274 0.815511 O\n0.258254 0.176726 0.815511 O\n0.741746 0.823274 0.184489 O\n0.385361 0.000000 0.361325 O\n0.614639 0.000000 0.638675 O\n0.614639 0.500000 0.361325 O\n0.385361 0.500000 0.638675 O\n",
            "nsites": 24,
            "nelements": 4,
            "elements": [
                "Cs",
                "Tm",
                "Mo",
                "O"
            ],
            "chemical_system": "Cs-Mo-O-Tm",
            "density": 5.258890315859822,
            "density_atomic": 0.06112727169687068,
            "volume": 392.6234450478287,
            "volume_molar": 9.851806882308956,
            "formula_full": "Cs2 Tm2 Mo4 O16",
            "formula_reduced": "CsTm(MoO4)2",
            "formula_anonymous": "ABC2D8",
            "energy": -194.49709440000004,
            "energy_per_atom": -8.104045600000001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -170.6970944,
            "band_gap": 3.5623000000000005,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.00041,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:38.119000Z",
            "spacegroup": 49
        },
        {
            "id": "mp-1206340",
            "created_at": "2022-09-04T14:48:12.829721Z",
            "structure_string": "Er2 Mn4 Si2 C2\n1.0\n1.838805 -5.281035 0.000000\n1.838805 5.281035 0.000000\n0.000000 0.000000 6.976341\nEr Mn Si C\n2 4 2 2\ndirect\n0.543603 0.456397 0.250000 Er\n0.456397 0.543603 0.750000 Er\n0.832128 0.167872 0.061175 Mn\n0.167872 0.832128 0.938825 Mn\n0.167872 0.832128 0.561175 Mn\n0.832128 0.167872 0.438825 Mn\n0.264392 0.735608 0.250000 Si\n0.735608 0.264392 0.750000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "Er",
                "Mn",
                "Si",
                "C"
            ],
            "chemical_system": "C-Er-Mn-Si",
            "density": 7.775757221942736,
            "density_atomic": 0.07380530546389044,
            "volume": 135.4916145546277,
            "volume_molar": 8.159495746476326,
            "formula_full": "Er2 Mn4 Si2 C2",
            "formula_reduced": "ErMn2SiC",
            "formula_anonymous": "ABCD2",
            "energy": -80.18906322000001,
            "energy_per_atom": -8.018906322000001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -80.33106322,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 5.2138828,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:42.544000Z",
            "spacegroup": 63
        },
        {
            "id": "mp-1225758",
            "created_at": "2022-09-04T14:48:12.832148Z",
            "structure_string": "Cu3 N1\n1.0\n-1.429689 1.894912 4.086702\n1.429689 -1.894912 4.086702\n1.429689 1.894912 -4.086702\nCu N\n3 1\ndirect\n0.679072 0.679072 0.000000 Cu\n0.000000 0.000000 0.000000 Cu\n0.320928 0.320928 0.000000 Cu\n0.500000 0.000000 0.500000 N\n",
            "nsites": 4,
            "nelements": 2,
            "elements": [
                "Cu",
                "N"
            ],
            "chemical_system": "Cu-N",
            "density": 7.673367803421798,
            "density_atomic": 0.0903225952715654,
            "volume": 44.28570711429996,
            "volume_molar": 6.667369047461194,
            "formula_full": "Cu3 N1",
            "formula_reduced": "Cu3N",
            "formula_anonymous": "AB3",
            "energy": -19.25614652,
            "energy_per_atom": -4.81403663,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -18.89514652,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 2.83e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:45.103000Z",
            "spacegroup": 71
        },
        {
            "id": "mp-1016614",
            "created_at": "2022-09-04T14:48:12.834955Z",
            "structure_string": "Mg12 Cr2 W2\n1.0\n4.741749 0.000000 0.000000\n0.000000 5.951395 0.000000\n0.000000 0.000000 10.980888\nMg Cr W\n12 2 2\ndirect\n0.000000 0.739093 0.078852 Mg\n0.000000 0.260907 0.078852 Mg\n0.000000 0.000000 0.328143 Mg\n0.500000 0.255074 0.423004 Mg\n0.500000 0.744926 0.423004 Mg\n0.500000 0.000000 0.171010 Mg\n0.000000 0.239093 0.578852 Mg\n0.000000 0.760907 0.578852 Mg\n0.000000 0.500000 0.828143 Mg\n0.500000 0.755074 0.923004 Mg\n0.500000 0.244926 0.923004 Mg\n0.500000 0.500000 0.671010 Mg\n0.000000 0.500000 0.303394 Cr\n0.000000 0.000000 0.803394 Cr\n0.500000 0.500000 0.193740 W\n0.500000 0.000000 0.693740 W\n",
            "nsites": 16,
            "nelements": 3,
            "elements": [
                "Mg",
                "Cr",
                "W"
            ],
            "chemical_system": "Cr-Mg-W",
            "density": 4.090419793371629,
            "density_atomic": 0.05163274133424316,
            "volume": 309.8808931415133,
            "volume_molar": 11.663414733329448,
            "formula_full": "Mg12 Cr2 W2",
            "formula_reduced": "Mg6CrW",
            "formula_anonymous": "ABC6",
            "energy": -58.94949233,
            "energy_per_atom": -3.684343270625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -58.94949233,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 4.6316979,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:26.511000Z",
            "spacegroup": 38
        },
        {
            "id": "mp-1224976",
            "created_at": "2022-09-04T14:48:12.839614Z",
            "structure_string": "Fe1 Ni1\n1.0\n4.194995 -1.257932 0.000000\n4.194995 1.257932 0.000000\n3.817784 0.000000 2.145902\nFe Ni\n1 1\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Ni\n",
            "nsites": 2,
            "nelements": 2,
            "elements": [
                "Fe",
                "Ni"
            ],
            "chemical_system": "Fe-Ni",
            "density": 8.397919682739822,
            "density_atomic": 0.08830829562506698,
            "volume": 22.647928893243012,
            "volume_molar": 6.819450785879022,
            "formula_full": "Fe1 Ni1",
            "formula_reduced": "FeNi",
            "formula_anonymous": "AB",
            "energy": -14.24730989,
            "energy_per_atom": -7.123654945,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -14.24730989,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 3.1659732,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:45.726000Z",
            "spacegroup": 166
        },
        {
            "id": "mp-1225135",
            "created_at": "2022-09-04T14:48:12.844235Z",
            "structure_string": "Fe4 Si1\n1.0\n0.000000 2.027610 9.466341\n1.521904 0.000000 9.466341\n1.521904 2.027610 0.000000\nFe Si\n4 1\ndirect\n0.405931 0.405931 0.594069 Fe\n0.802029 0.802029 0.197971 Fe\n0.197971 0.197971 0.802029 Fe\n0.594069 0.594069 0.405931 Fe\n0.000000 0.000000 0.000000 Si\n",
            "nsites": 5,
            "nelements": 2,
            "elements": [
                "Fe",
                "Si"
            ],
            "chemical_system": "Fe-Si",
            "density": 7.147327528579133,
            "density_atomic": 0.08558273888426232,
            "volume": 58.42299586557684,
            "volume_molar": 7.036630094468035,
            "formula_full": "Fe4 Si1",
            "formula_reduced": "Fe4Si",
            "formula_anonymous": "AB4",
            "energy": -39.60813752,
            "energy_per_atom": -7.921627504,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -39.67913752,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 8.8318236,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:37.719000Z",
            "spacegroup": 69
        }
    ]
}