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=nelements&page=111",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=109",
"results": [
{
"id": "mp-979919",
"created_at": "2022-09-04T14:40:18.001791Z",
"structure_string": "Ta2 O6\n1.0\n2.337823 -4.049228 0.000000\n2.337823 4.049228 0.000000\n0.000000 0.000000 3.724236\nTa O\n2 6\ndirect\n0.333333 0.666667 0.750000 Ta\n0.666667 0.333333 0.250000 Ta\n0.180020 0.360040 0.250000 O\n0.639960 0.819980 0.250000 O\n0.180020 0.819980 0.250000 O\n0.819980 0.639960 0.750000 O\n0.360040 0.180020 0.750000 O\n0.819980 0.180020 0.750000 O\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ta",
"O"
],
"chemical_system": "O-Ta",
"density": 10.783537607850274,
"density_atomic": 0.11345899678678911,
"volume": 70.51005408617803,
"volume_molar": 5.307768383777216,
"formula_full": "Ta2 O6",
"formula_reduced": "TaO3",
"formula_anonymous": "AB3",
"energy": -67.86823943,
"energy_per_atom": -8.48352992875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.74623943,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9974156,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.236000Z",
"spacegroup": 194
},
{
"id": "mp-1919",
"created_at": "2022-09-04T14:39:24.511249Z",
"structure_string": "Zr4 Cr8\n1.0\n2.549586 -4.416013 0.000000\n2.549586 4.416013 0.000000\n0.000000 0.000000 8.107787\nZr Cr\n4 8\ndirect\n0.333333 0.666667 0.060056 Zr\n0.666667 0.333333 0.560056 Zr\n0.666667 0.333333 0.939944 Zr\n0.333333 0.666667 0.439944 Zr\n0.000000 0.000000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.832560 0.665120 0.250000 Cr\n0.167440 0.832560 0.750000 Cr\n0.665120 0.832560 0.750000 Cr\n0.334880 0.167440 0.250000 Cr\n0.832560 0.167440 0.250000 Cr\n0.167440 0.334880 0.750000 Cr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Zr",
"Cr"
],
"chemical_system": "Cr-Zr",
"density": 7.102195259330821,
"density_atomic": 0.06572777193410503,
"volume": 182.57122745664535,
"volume_molar": 9.162246920582458,
"formula_full": "Zr4 Cr8",
"formula_reduced": "ZrCr2",
"formula_anonymous": "AB2",
"energy": -111.56323689,
"energy_per_atom": -9.2969364075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -111.56323689,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.1357493,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:39.999000Z",
"spacegroup": 194
},
{
"id": "mp-1094420",
"created_at": "2022-09-04T14:40:18.908578Z",
"structure_string": "Y3 Mg3\n1.0\n1.746524 6.141100 0.000000\n-1.746524 6.141100 0.000000\n0.000000 2.717305 7.855589\nY Mg\n3 3\ndirect\n0.307179 0.307179 0.355168 Y\n0.968560 0.968560 0.585951 Y\n0.289881 0.289881 0.940006 Y\n0.998706 0.998706 0.004456 Mg\n0.601594 0.601594 0.245872 Mg\n0.667413 0.667413 0.701881 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Y",
"Mg"
],
"chemical_system": "Mg-Y",
"density": 3.3467935786318748,
"density_atomic": 0.03560588412179639,
"volume": 168.51147353835987,
"volume_molar": 16.913330222050305,
"formula_full": "Y3 Mg3",
"formula_reduced": "YMg",
"formula_anonymous": "AB",
"energy": -24.215082700000004,
"energy_per_atom": -4.035847116666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.215082700000004,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3426711,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.819000Z",
"spacegroup": 8
},
{
"id": "mp-257",
"created_at": "2022-09-04T14:39:24.468403Z",
"structure_string": "Dy1 In1\n1.0\n3.764008 0.000000 0.000000\n0.000000 3.764008 0.000000\n0.000000 0.000000 3.764008\nDy In\n1 1\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 In\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Dy",
"In"
],
"chemical_system": "Dy-In",
"density": 8.635262488769214,
"density_atomic": 0.03750406841596087,
"volume": 53.32754776942669,
"volume_molar": 16.057299952655576,
"formula_full": "Dy1 In1",
"formula_reduced": "DyIn",
"formula_anonymous": "AB",
"energy": -8.25659394,
"energy_per_atom": -4.12829697,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.25659394,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.32e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:37.006000Z",
"spacegroup": 221
},
{
"id": "mp-12175",
"created_at": "2022-09-04T14:40:18.879221Z",
"structure_string": "Y20 Pt16\n1.0\n7.536931 0.000000 0.000000\n0.000000 7.607294 0.000000\n0.000000 0.000000 14.745982\nY Pt\n20 16\ndirect\n0.681387 0.988221 0.250000 Y\n0.181387 0.511779 0.250000 Y\n0.818613 0.488221 0.750000 Y\n0.318613 0.011779 0.750000 Y\n0.656300 0.833269 0.622342 Y\n0.156300 0.666731 0.877658 Y\n0.843700 0.333269 0.377658 Y\n0.343700 0.166731 0.122342 Y\n0.343700 0.166731 0.377658 Y\n0.843700 0.333269 0.122342 Y\n0.156300 0.666731 0.622342 Y\n0.656300 0.833269 0.877658 Y\n0.997834 0.819259 0.406925 Y\n0.497834 0.680741 0.093075 Y\n0.502166 0.319259 0.593075 Y\n0.002166 0.180741 0.906925 Y\n0.002166 0.180741 0.593075 Y\n0.502166 0.319259 0.906925 Y\n0.497834 0.680741 0.406925 Y\n0.997834 0.819259 0.093075 Y\n0.815061 0.641165 0.250000 Pt\n0.315061 0.858835 0.250000 Pt\n0.684939 0.141165 0.750000 Pt\n0.184939 0.358835 0.750000 Pt\n0.547268 0.387676 0.250000 Pt\n0.047268 0.112324 0.250000 Pt\n0.952732 0.887676 0.750000 Pt\n0.452732 0.612324 0.750000 Pt\n0.817035 0.532107 0.541886 Pt\n0.317035 0.967893 0.958114 Pt\n0.682965 0.032107 0.458114 Pt\n0.182965 0.467893 0.041886 Pt\n0.182965 0.467893 0.458114 Pt\n0.682965 0.032107 0.041886 Pt\n0.317035 0.967893 0.541886 Pt\n0.817035 0.532107 0.958114 Pt\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Y",
"Pt"
],
"chemical_system": "Pt-Y",
"density": 9.622744680951259,
"density_atomic": 0.042579843527792385,
"volume": 845.470462485433,
"volume_molar": 14.143172593082157,
"formula_full": "Y20 Pt16",
"formula_reduced": "Y5Pt4",
"formula_anonymous": "A4B5",
"energy": -267.55085226,
"energy_per_atom": -7.431968118333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -267.55085226,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0538686,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:54.501000Z",
"spacegroup": 62
},
{
"id": "mp-570276",
"created_at": "2022-09-04T14:39:45.655588Z",
"structure_string": "Zr1 Zn1\n1.0\n3.344994 0.000000 0.000000\n0.000000 3.344994 0.000000\n0.000000 0.000000 3.344994\nZr Zn\n1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"Zn"
],
"chemical_system": "Zn-Zr",
"density": 6.94938438756032,
"density_atomic": 0.05343723352256186,
"volume": 37.427087222911254,
"volume_molar": 11.269559374658455,
"formula_full": "Zr1 Zn1",
"formula_reduced": "ZrZn",
"formula_anonymous": "AB",
"energy": -10.38182473,
"energy_per_atom": -5.190912365,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.38182473,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016665,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:32.733000Z",
"spacegroup": 221
},
{
"id": "mp-13126",
"created_at": "2022-09-04T14:40:18.884664Z",
"structure_string": "Zr2 N2\n1.0\n1.789822 -3.100063 0.000000\n1.789822 3.100063 0.000000\n0.000000 0.000000 5.584097\nZr N\n2 2\ndirect\n0.333333 0.666667 0.495946 Zr\n0.666667 0.333333 0.995946 Zr\n0.333333 0.666667 0.880254 N\n0.666667 0.333333 0.380254 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"N"
],
"chemical_system": "N-Zr",
"density": 5.6397290726499625,
"density_atomic": 0.06455006444982181,
"volume": 61.96740520854805,
"volume_molar": 9.329410917445838,
"formula_full": "Zr2 N2",
"formula_reduced": "ZrN",
"formula_anonymous": "AB",
"energy": -39.41501328,
"energy_per_atom": -9.85375332,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.69301328,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0431275,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.600000Z",
"spacegroup": 186
},
{
"id": "mp-13068",
"created_at": "2022-09-04T14:40:18.966202Z",
"structure_string": "Lu2 O3\n1.0\n1.783920 -3.089840 0.000000\n1.783920 3.089840 0.000000\n0.000000 0.000000 5.767486\nLu O\n2 3\ndirect\n0.666667 0.333333 0.749473 Lu\n0.333333 0.666667 0.250527 Lu\n0.666667 0.333333 0.353973 O\n0.333333 0.666667 0.646027 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Lu",
"O"
],
"chemical_system": "Lu-O",
"density": 10.39274496941692,
"density_atomic": 0.07863974454723589,
"volume": 63.581081408481566,
"volume_molar": 7.657884438297902,
"formula_full": "Lu2 O3",
"formula_reduced": "Lu2O3",
"formula_anonymous": "A2B3",
"energy": -44.04372659,
"energy_per_atom": -8.808745318,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.98272659,
"band_gap": 4.0883,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:51.386000Z",
"spacegroup": 164
},
{
"id": "mp-1001613",
"created_at": "2022-09-04T14:40:18.976347Z",
"structure_string": "Lu2 Ga2\n1.0\n2.116723 -5.303709 0.000000\n2.116723 5.303709 0.000000\n0.000000 0.000000 4.010717\nLu Ga\n2 2\ndirect\n0.861627 0.138373 0.250000 Lu\n0.138373 0.861627 0.750000 Lu\n0.578610 0.421390 0.250000 Ga\n0.421390 0.578610 0.750000 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Lu",
"Ga"
],
"chemical_system": "Ga-Lu",
"density": 9.024010319405171,
"density_atomic": 0.044418538053807334,
"volume": 90.05249103774004,
"volume_molar": 13.557719420447725,
"formula_full": "Lu2 Ga2",
"formula_reduced": "LuGa",
"formula_anonymous": "AB",
"energy": -17.53257863,
"energy_per_atom": -4.3831446575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.53257863,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003845,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:51.585000Z",
"spacegroup": 63
},
{
"id": "mp-21162",
"created_at": "2022-09-04T14:39:24.612237Z",
"structure_string": "Sr1 Pb3\n1.0\n5.051975 0.000000 0.000000\n0.000000 5.051975 0.000000\n0.000000 0.000000 5.051975\nSr Pb\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 Pb\n0.500000 0.000000 0.500000 Pb\n0.500000 0.500000 0.000000 Pb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sr",
"Pb"
],
"chemical_system": "Pb-Sr",
"density": 9.133694752070644,
"density_atomic": 0.031022472843321436,
"volume": 128.93878641467248,
"volume_molar": 19.412188030318333,
"formula_full": "Sr1 Pb3",
"formula_reduced": "SrPb3",
"formula_anonymous": "AB3",
"energy": -14.11951311,
"energy_per_atom": -3.5298782775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.11951311,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0019031,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:23.444000Z",
"spacegroup": 221
},
{
"id": "mp-23312",
"created_at": "2022-09-04T14:40:19.318223Z",
"structure_string": "Mo4 Br12\n1.0\n6.119478 0.000000 0.000000\n0.000000 7.286045 0.000000\n0.000000 0.000000 12.680266\nMo Br\n4 12\ndirect\n0.728807 0.253027 0.500000 Mo\n0.228807 0.746973 0.000000 Mo\n0.271193 0.253027 0.500000 Mo\n0.771193 0.746973 0.000000 Mo\n0.500000 0.105645 0.647505 Br\n0.000000 0.894355 0.852495 Br\n0.500000 0.105645 0.352495 Br\n0.000000 0.894355 0.147505 Br\n0.000000 0.451010 0.000000 Br\n0.500000 0.548990 0.500000 Br\n0.500000 0.027494 0.000000 Br\n0.000000 0.972506 0.500000 Br\n0.000000 0.392660 0.360472 Br\n0.500000 0.607340 0.139528 Br\n0.000000 0.392660 0.639528 Br\n0.500000 0.607340 0.860472 Br\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Mo",
"Br"
],
"chemical_system": "Br-Mo",
"density": 3.943335577283174,
"density_atomic": 0.02829993197540512,
"volume": 565.3723837182812,
"volume_molar": 21.279700478551383,
"formula_full": "Mo4 Br12",
"formula_reduced": "MoBr3",
"formula_anonymous": "AB3",
"energy": -78.67840458,
"energy_per_atom": -4.91740028625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.27040458,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9997544,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.160000Z",
"spacegroup": 59
},
{
"id": "mp-554355",
"created_at": "2022-09-04T14:39:11.938917Z",
"structure_string": "Ca1 F2\n1.0\n3.749573 0.000000 0.000000\n0.000000 3.749573 0.000000\n0.000000 0.000000 3.022894\nCa F\n1 2\ndirect\n0.000000 0.000000 0.500000 Ca\n0.000000 0.500000 0.000000 F\n0.500000 0.000000 0.000000 F\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ca",
"F"
],
"chemical_system": "Ca-F",
"density": 3.0505171320080255,
"density_atomic": 0.0705886229367288,
"volume": 42.49976660812624,
"volume_molar": 8.531319226042799,
"formula_full": "Ca1 F2",
"formula_reduced": "CaF2",
"formula_anonymous": "AB2",
"energy": -17.78064672,
"energy_per_atom": -5.92688224,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.85664672,
"band_gap": 5.1414,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.5e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.771000Z",
"spacegroup": 123
}
]
}