HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": null,
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-total_magnetization&page=12193",
"results": [
{
"id": "mp-1521613",
"created_at": "2022-09-04T14:42:28.507571Z",
"structure_string": "Ba4 Sr4 Y4 Sb4 O24\n1.0\n8.454919 0.000000 0.000000\n0.000000 8.448144 0.000000\n0.000000 0.000000 8.447016\nBa Sr Y Sb O\n4 4 4 4 24\ndirect\n-0.000000 -0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n-0.000000 0.500000 0.000000 Ba\n-0.000000 0.000000 0.500000 Ba\n-0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.500000 0.000000 0.000000 Sr\n0.252209 0.250519 0.250526 Y\n0.747791 0.749481 0.250526 Y\n0.747791 0.250519 0.749474 Y\n0.252209 0.749481 0.749474 Y\n0.746717 0.749200 0.750132 Sb\n0.253283 0.250800 0.750132 Sb\n0.253283 0.749200 0.249868 Sb\n0.746717 0.250800 0.249868 Sb\n0.984844 0.229939 0.268805 O\n0.015156 0.770061 0.268805 O\n0.015156 0.229939 0.731195 O\n0.984844 0.770061 0.731195 O\n0.279032 0.986190 0.224540 O\n0.279032 0.013810 0.775460 O\n0.720968 0.013810 0.224540 O\n0.720968 0.986190 0.775460 O\n0.233244 0.272320 0.986888 O\n0.766756 0.272320 0.013112 O\n0.233244 0.727680 0.013112 O\n0.766756 0.727680 0.986888 O\n0.512473 0.281901 0.222808 O\n0.487527 0.718099 0.222808 O\n0.487527 0.281901 0.777192 O\n0.512473 0.718099 0.777192 O\n0.225550 0.513692 0.281783 O\n0.225550 0.486308 0.718217 O\n0.774450 0.486308 0.281783 O\n0.774450 0.513692 0.718217 O\n0.280856 0.220934 0.514481 O\n0.719144 0.220934 0.485519 O\n0.280856 0.779066 0.485519 O\n0.719144 0.779066 0.514481 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Y",
"Sb",
"O"
],
"chemical_system": "Ba-O-Sb-Sr-Y",
"density": 5.852312950877232,
"density_atomic": 0.0662957846838313,
"volume": 603.3566114461497,
"volume_molar": 9.083746106513352,
"formula_full": "Ba4 Sr4 Y4 Sb4 O24",
"formula_reduced": "BaSrYSbO6",
"formula_anonymous": "ABCDE6",
"energy": -298.52394589,
"energy_per_atom": -7.46309864725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -282.03594589,
"band_gap": 3.4776,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.324000Z",
"spacegroup": 16
},
{
"id": "mp-1218436",
"created_at": "2022-09-04T14:42:25.999358Z",
"structure_string": "Sr1 Al1 Si5 N7 O2\n1.0\n4.937422 0.000000 0.000000\n2.429727 6.355899 0.000000\n2.404008 0.942757 6.358656\nSr Al Si N O\n1 1 5 7 2\ndirect\n0.279913 0.010442 0.995554 Sr\n0.825124 0.527209 0.147140 Al\n0.325482 0.332794 0.332227 Si\n0.989510 0.660757 0.660780 Si\n0.501671 0.468479 0.854727 Si\n0.816339 0.144170 0.531795 Si\n0.485143 0.859379 0.479743 Si\n0.692876 0.297063 0.315453 N\n0.309791 0.690291 0.687980 N\n0.239839 0.443842 0.098917 N\n0.760112 0.567495 0.889517 N\n0.215379 0.100899 0.443733 N\n0.767877 0.895123 0.551515 N\n0.629721 0.228422 0.769336 N\n0.077267 0.499759 0.493246 O\n0.615056 0.773877 0.248336 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Sr",
"Al",
"Si",
"N",
"O"
],
"chemical_system": "Al-N-O-Si-Sr",
"density": 3.2044356970207217,
"density_atomic": 0.0801820982624024,
"volume": 199.54578823366168,
"volume_molar": 7.51058015505164,
"formula_full": "Sr1 Al1 Si5 N7 O2",
"formula_reduced": "SrAlSi5N7O2",
"formula_anonymous": "ABC2D5E7",
"energy": -129.3137957,
"energy_per_atom": -8.08211223125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -125.4127957,
"band_gap": 3.5771999999999995,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:44.224000Z",
"spacegroup": 1
},
{
"id": "mp-1079069",
"created_at": "2022-09-04T14:42:24.488726Z",
"structure_string": "La2 Mn2 Se2 O3\n1.0\n4.165770 0.000017 0.000133\n0.000017 4.165751 0.000153\n2.083193 2.083228 9.593459\nLa Mn Se O\n2 2 2 3\ndirect\n0.687832 0.687825 0.624324 La\n0.312167 0.312163 0.375680 La\n0.499998 0.000009 0.999995 Mn\n0.000005 0.500019 0.999995 Mn\n0.100456 0.100452 0.798607 Se\n0.899543 0.899549 0.201393 Se\n0.499999 0.499994 0.000002 O\n0.249995 0.750000 0.500001 O\n0.750005 0.249988 0.500002 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"La",
"Mn",
"Se",
"O"
],
"chemical_system": "La-Mn-O-Se",
"density": 5.920923796391335,
"density_atomic": 0.05406113569633128,
"volume": 166.47818962876065,
"volume_molar": 11.139501015715208,
"formula_full": "La2 Mn2 Se2 O3",
"formula_reduced": "La2Mn2Se2O3",
"formula_anonymous": "A2B2C2D3",
"energy": -73.33142634,
"energy_per_atom": -8.14793626,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.99042634,
"band_gap": 0.6197999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:48.253000Z",
"spacegroup": 139
},
{
"id": "mp-1522582",
"created_at": "2022-09-04T14:42:24.541100Z",
"structure_string": "K1 Ce1 Pr1 Ge1 O6\n1.0\n-0.000000 -4.111225 -4.111225\n4.111225 -0.000000 -4.111225\n4.111225 -4.111225 -0.000000\nK Ce Pr Ge O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n-0.000000 0.000000 0.000000 Ce\n0.750000 0.750000 0.750000 Pr\n0.500000 0.500000 0.500000 Ge\n0.732386 0.267614 0.267614 O\n0.267614 0.732386 0.732386 O\n0.732386 0.267614 0.732386 O\n0.267614 0.732386 0.267614 O\n0.732386 0.732386 0.267614 O\n0.267614 0.267614 0.732386 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Ce",
"Pr",
"Ge",
"O"
],
"chemical_system": "Ce-Ge-K-O-Pr",
"density": 5.839821262757311,
"density_atomic": 0.07195421964600475,
"volume": 138.97725594408902,
"volume_molar": 8.36940597733851,
"formula_full": "K1 Ce1 Pr1 Ge1 O6",
"formula_reduced": "KCePrGeO6",
"formula_anonymous": "ABCDE6",
"energy": -74.93454637,
"energy_per_atom": -7.493454637000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.81254637,
"band_gap": 1.9978,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.405000Z",
"spacegroup": 216
},
{
"id": "mp-568177",
"created_at": "2022-09-04T14:42:22.698118Z",
"structure_string": "Ca1 Al1 Si1 H1\n1.0\n2.071640 -3.588186 0.000000\n2.071640 3.588186 0.000000\n0.000000 0.000000 4.698226\nCa Al Si H\n1 1 1 1\ndirect\n0.000000 0.000000 0.000079 Ca\n0.666667 0.333333 0.542888 Al\n0.333333 0.666667 0.434108 Si\n0.666667 0.333333 0.916225 H\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Ca",
"Al",
"Si",
"H"
],
"chemical_system": "Al-Ca-H-Si",
"density": 2.2859077749437424,
"density_atomic": 0.057267319599590125,
"volume": 69.8478648549954,
"volume_molar": 10.515841848555983,
"formula_full": "Ca1 Al1 Si1 H1",
"formula_reduced": "CaAlSiH",
"formula_anonymous": "ABCD",
"energy": -16.23732258,
"energy_per_atom": -4.059330645,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.12932258,
"band_gap": 0.3693999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:45.678000Z",
"spacegroup": 156
},
{
"id": "mp-1032982",
"created_at": "2022-09-04T14:42:24.590770Z",
"structure_string": "Ca1 Mg6 Si1 O8\n1.0\n8.806167 0.000000 -0.000000\n0.000000 4.409091 0.000000\n0.000000 0.000000 4.409091\nCa Mg Si O\n1 6 1 8\ndirect\n0.000000 0.000000 -0.000000 Ca\n0.500000 0.000000 -0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.260844 -0.000000 0.500000 Mg\n0.739156 0.000000 0.500000 Mg\n0.260844 0.500000 -0.000000 Mg\n0.739156 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Si\n0.264580 0.000000 -0.000000 O\n0.735420 -0.000000 0.000000 O\n0.263913 0.500000 0.500000 O\n0.736087 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": [
"Ca",
"Mg",
"Si",
"O"
],
"chemical_system": "Ca-Mg-O-Si",
"density": 3.317231737564067,
"density_atomic": 0.0934619721133652,
"volume": 171.19262132188604,
"volume_molar": 6.443412891711094,
"formula_full": "Ca1 Mg6 Si1 O8",
"formula_reduced": "CaMg6SiO8",
"formula_anonymous": "ABC6D8",
"energy": -100.13108314,
"energy_per_atom": -6.25819269625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -94.63508314,
"band_gap": 0.4968000000000003,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:44.494000Z",
"spacegroup": 123
},
{
"id": "mp-31117",
"created_at": "2022-09-04T14:42:25.192975Z",
"structure_string": "Nd4 Sc4 O12\n1.0\n5.609458 0.000000 0.000000\n0.000000 5.840317 0.000000\n0.000000 0.000000 8.084133\nNd Sc O\n4 4 12\ndirect\n0.984479 0.056358 0.750000 Nd\n0.484479 0.443642 0.250000 Nd\n0.515521 0.556358 0.750000 Nd\n0.015521 0.943642 0.250000 Nd\n0.000000 0.500000 0.500000 Sc\n0.500000 0.000000 0.500000 Sc\n0.500000 0.000000 0.000000 Sc\n0.000000 0.500000 0.000000 Sc\n0.697779 0.301155 0.558368 O\n0.197779 0.198845 0.441632 O\n0.802221 0.801155 0.941632 O\n0.302221 0.698845 0.058368 O\n0.302221 0.698845 0.441632 O\n0.802221 0.801155 0.558368 O\n0.197779 0.198845 0.058368 O\n0.697779 0.301155 0.941632 O\n0.889344 0.542388 0.250000 O\n0.389344 0.957612 0.750000 O\n0.610656 0.042388 0.250000 O\n0.110656 0.457612 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Nd",
"Sc",
"O"
],
"chemical_system": "Nd-O-Sc",
"density": 5.9487522752184665,
"density_atomic": 0.07551604294448966,
"volume": 264.8443856453337,
"volume_molar": 7.974650849259616,
"formula_full": "Nd4 Sc4 O12",
"formula_reduced": "NdScO3",
"formula_anonymous": "ABC3",
"energy": -181.70727777,
"energy_per_atom": -9.0853638885,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -173.46327777,
"band_gap": 4.3025,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:47.447000Z",
"spacegroup": 62
}
]
}