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=12122",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nelements&page=12120",
"results": [
{
"id": "mp-571486",
"created_at": "2022-09-04T14:47:46.893016Z",
"structure_string": "Cu6 Se6\n1.0\n2.004346 -3.496642 0.000000\n2.004346 3.496642 0.000000\n0.000000 0.000000 17.434923\nCu Se\n6 6\ndirect\n0.340510 0.659490 0.107913 Cu\n0.659490 0.340510 0.892087 Cu\n0.659490 0.340510 0.607913 Cu\n0.340510 0.659490 0.392087 Cu\n0.366399 0.633601 0.750000 Cu\n0.633601 0.366399 0.250000 Cu\n0.698015 0.301985 0.750000 Se\n0.301985 0.698015 0.250000 Se\n0.993198 0.006802 0.569572 Se\n0.006802 0.993198 0.069572 Se\n0.993198 0.006802 0.930428 Se\n0.006802 0.993198 0.430428 Se\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Cu",
"Se"
],
"chemical_system": "Cu-Se",
"density": 5.80977890091332,
"density_atomic": 0.0491029238598641,
"volume": 244.3846324558403,
"volume_molar": 12.264322135249456,
"formula_full": "Cu6 Se6",
"formula_reduced": "CuSe",
"formula_anonymous": "AB",
"energy": -49.8831896,
"energy_per_atom": -4.1569324666666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.0511896,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012735,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:20.629000Z",
"spacegroup": 63
},
{
"id": "mp-1205309",
"created_at": "2022-09-04T14:47:55.027971Z",
"structure_string": "Li2 B2\n1.0\n-1.539675 2.832421 3.111973\n1.539675 -2.832421 3.111973\n1.539675 2.832421 -3.111973\nLi B\n2 2\ndirect\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.972903 0.750000 0.222903 B\n0.027097 0.250000 0.777097 B\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"B"
],
"chemical_system": "B-Li",
"density": 1.0860347132120545,
"density_atomic": 0.07368469936310722,
"volume": 54.28535414507965,
"volume_molar": 8.17285109670298,
"formula_full": "Li2 B2",
"formula_reduced": "LiB",
"formula_anonymous": "AB",
"energy": -17.55638732,
"energy_per_atom": -4.38909683,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.55638732,
"band_gap": 0.3813999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:16.763000Z",
"spacegroup": 74
},
{
"id": "mp-1191706",
"created_at": "2022-09-04T14:47:55.728408Z",
"structure_string": "Zr16 Ir8\n1.0\n0.000000 6.274506 6.274506\n6.274506 0.000000 6.274506\n6.274506 6.274506 0.000000\nZr Ir\n16 8\ndirect\n0.125000 0.625000 0.625000 Zr\n0.625000 0.125000 0.625000 Zr\n0.625000 0.625000 0.125000 Zr\n0.625000 0.625000 0.625000 Zr\n0.812815 0.812815 0.187185 Zr\n0.187185 0.187185 0.812815 Zr\n0.812815 0.187185 0.812815 Zr\n0.187185 0.812815 0.187185 Zr\n0.187185 0.812815 0.812815 Zr\n0.812815 0.187185 0.187185 Zr\n0.437185 0.437185 0.062815 Zr\n0.062815 0.062815 0.437185 Zr\n0.437185 0.062815 0.437185 Zr\n0.062815 0.437185 0.062815 Zr\n0.062815 0.437185 0.437185 Zr\n0.437185 0.062815 0.062815 Zr\n0.793460 0.402180 0.402180 Ir\n0.402180 0.793460 0.402180 Ir\n0.402180 0.402180 0.793460 Ir\n0.402180 0.402180 0.402180 Ir\n0.456540 0.847820 0.847820 Ir\n0.847820 0.456540 0.847820 Ir\n0.847820 0.847820 0.456540 Ir\n0.847820 0.847820 0.847820 Ir\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Zr",
"Ir"
],
"chemical_system": "Ir-Zr",
"density": 10.074270241531071,
"density_atomic": 0.04857833542210649,
"volume": 494.04739358521425,
"volume_molar": 12.396762276172005,
"formula_full": "Zr16 Ir8",
"formula_reduced": "Zr2Ir",
"formula_anonymous": "AB2",
"energy": -222.50237469,
"energy_per_atom": -9.270932278750001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -222.50237469,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0082886,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:21.940000Z",
"spacegroup": 227
},
{
"id": "mp-1220129",
"created_at": "2022-09-04T14:47:55.051900Z",
"structure_string": "Nd3 Dy3\n1.0\n17.741908 -1.816812 0.000000\n17.741908 1.816812 0.000000\n17.555862 0.000000 3.141307\nNd Dy\n3 3\ndirect\n0.112171 0.112171 0.112171 Nd\n0.888921 0.888921 0.888921 Nd\n0.387807 0.387807 0.387807 Nd\n0.998943 0.998943 0.998943 Dy\n0.500183 0.500183 0.500183 Dy\n0.611974 0.611974 0.611974 Dy\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Nd",
"Dy"
],
"chemical_system": "Dy-Nd",
"density": 7.545584843367071,
"density_atomic": 0.029627878842142484,
"volume": 202.51196624530687,
"volume_molar": 20.32592610522678,
"formula_full": "Nd3 Dy3",
"formula_reduced": "NdDy",
"formula_anonymous": "AB",
"energy": -27.85727227,
"energy_per_atom": -4.6428787116666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.85727227,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.048178,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:18.064000Z",
"spacegroup": 160
},
{
"id": "mp-726720",
"created_at": "2022-09-04T14:47:46.876158Z",
"structure_string": "N4 O6\n1.0\n5.203387 0.000000 0.000000\n0.000000 5.827101 0.000000\n0.000000 0.000000 5.969906\nN O\n4 6\ndirect\n0.923319 0.000000 0.500000 N\n0.076681 0.500000 0.000000 N\n0.504085 0.000000 0.000000 N\n0.495915 0.500000 0.500000 N\n0.745477 0.000000 0.000000 O\n0.254523 0.500000 0.500000 O\n0.385651 0.000000 0.817786 O\n0.385651 0.000000 0.182214 O\n0.614349 0.500000 0.682214 O\n0.614349 0.500000 0.317786 O\n",
"nsites": 10,
"nelements": 2,
"elements": [
"N",
"O"
],
"chemical_system": "N-O",
"density": 1.3946100841544071,
"density_atomic": 0.05524510887151198,
"volume": 181.01149955659983,
"volume_molar": 10.900767295085219,
"formula_full": "N4 O6",
"formula_reduced": "N2O3",
"formula_anonymous": "A2B3",
"energy": -57.17694722,
"energy_per_atom": -5.717694722,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.05494722,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0031633,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:18.328000Z",
"spacegroup": 59
},
{
"id": "mp-1184714",
"created_at": "2022-09-04T14:47:46.929931Z",
"structure_string": "Ho2 As6\n1.0\n2.994438 -5.186520 0.000000\n2.994438 5.186520 0.000000\n0.000000 0.000000 5.466348\nHo As\n2 6\ndirect\n0.333333 0.666667 0.750000 Ho\n0.666667 0.333333 0.250000 Ho\n0.180197 0.360395 0.250000 As\n0.639605 0.819802 0.250000 As\n0.180197 0.819802 0.250000 As\n0.819802 0.639605 0.750000 As\n0.360395 0.180197 0.750000 As\n0.819802 0.180197 0.750000 As\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ho",
"As"
],
"chemical_system": "As-Ho",
"density": 7.622288911432572,
"density_atomic": 0.04711631672872583,
"volume": 169.79255925416106,
"volume_molar": 12.781433647864983,
"formula_full": "Ho2 As6",
"formula_reduced": "HoAs3",
"formula_anonymous": "AB3",
"energy": -40.94868524,
"energy_per_atom": -5.118585655,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.94868524,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007351,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:20.177000Z",
"spacegroup": 194
},
{
"id": "mp-1185059",
"created_at": "2022-09-04T14:47:55.060618Z",
"structure_string": "K3 Ru1\n1.0\n-2.953096 2.953096 4.433499\n2.953096 -2.953096 4.433499\n2.953096 2.953096 -4.433499\nK Ru\n3 1\ndirect\n0.750000 0.250000 0.500000 K\n0.250000 0.750000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Ru"
],
"chemical_system": "K-Ru",
"density": 2.3446077256740367,
"density_atomic": 0.025864152628690656,
"volume": 154.6542064387166,
"volume_molar": 23.283735007501246,
"formula_full": "K3 Ru1",
"formula_reduced": "K3Ru",
"formula_anonymous": "AB3",
"energy": -8.40557039,
"energy_per_atom": -2.1013925975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.40557039,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.7166438,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:12.669000Z",
"spacegroup": 139
},
{
"id": "mp-755820",
"created_at": "2022-09-04T14:47:39.984814Z",
"structure_string": "Nd4 O8\n1.0\n5.853771 0.000000 0.000000\n0.000000 5.826146 0.000000\n0.000000 0.938056 5.831769\nNd O\n4 8\ndirect\n0.526588 0.286790 0.288242 Nd\n0.973412 0.786790 0.288242 Nd\n0.026588 0.213210 0.711758 Nd\n0.473412 0.713210 0.711758 Nd\n0.837532 0.160672 0.071395 O\n0.662468 0.660672 0.071395 O\n0.253295 0.009820 0.469440 O\n0.246705 0.509820 0.469440 O\n0.753295 0.490180 0.530560 O\n0.746705 0.990180 0.530560 O\n0.337532 0.339328 0.928605 O\n0.162468 0.839328 0.928605 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Nd",
"O"
],
"chemical_system": "Nd-O",
"density": 5.885700230737752,
"density_atomic": 0.060334239187945296,
"volume": 198.8920414264142,
"volume_molar": 9.98129891261348,
"formula_full": "Nd4 O8",
"formula_reduced": "NdO2",
"formula_anonymous": "AB2",
"energy": -94.43214097,
"energy_per_atom": -7.869345080833334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.93614097,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9698977,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:21.847000Z",
"spacegroup": 14
},
{
"id": "mp-22924",
"created_at": "2022-09-04T14:47:46.728073Z",
"structure_string": "Na1 Bi1\n1.0\n3.430193 0.000000 0.000000\n0.000000 3.430193 0.000000\n0.000000 0.000000 4.939507\nNa Bi\n1 1\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Na",
"Bi"
],
"chemical_system": "Bi-Na",
"density": 6.627664548383457,
"density_atomic": 0.034411949569294206,
"volume": 58.11934589676955,
"volume_molar": 17.500144093473736,
"formula_full": "Na1 Bi1",
"formula_reduced": "NaBi",
"formula_anonymous": "AB",
"energy": -5.7970444,
"energy_per_atom": -2.8985222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.7970444,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.05e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:21.376000Z",
"spacegroup": 123
},
{
"id": "mp-1009733",
"created_at": "2022-09-04T14:47:55.746228Z",
"structure_string": "Ca2 Si1\n1.0\n0.000000 3.584411 3.584411\n3.584411 0.000000 3.584411\n3.584411 3.584411 0.000000\nCa Si\n2 1\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Si\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ca",
"Si"
],
"chemical_system": "Ca-Si",
"density": 1.9514593069609545,
"density_atomic": 0.03257150715204097,
"volume": 92.10504094871202,
"volume_molar": 18.488984043290255,
"formula_full": "Ca2 Si1",
"formula_reduced": "Ca2Si",
"formula_anonymous": "AB2",
"energy": -10.69945811,
"energy_per_atom": -3.566486036666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.77045811,
"band_gap": 0.5509000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013188,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:19.315000Z",
"spacegroup": 225
},
{
"id": "mp-1194653",
"created_at": "2022-09-04T14:47:55.071340Z",
"structure_string": "Na2 P30\n1.0\n7.159607 0.000000 0.000000\n-2.883860 8.779282 0.000000\n-1.955962 -1.105907 11.628187\nNa P\n2 30\ndirect\n0.788131 0.790026 0.000320 Na\n0.211869 0.209974 0.999680 Na\n0.662741 0.311642 0.568680 P\n0.337259 0.688358 0.431320 P\n0.708171 0.134825 0.829136 P\n0.291829 0.865175 0.170864 P\n0.342148 0.806345 0.851029 P\n0.657852 0.193655 0.148971 P\n0.742909 0.516191 0.826248 P\n0.257091 0.483809 0.173752 P\n0.527511 0.919591 0.724651 P\n0.472489 0.080409 0.275349 P\n0.507892 0.281084 0.824962 P\n0.492108 0.718916 0.175038 P\n0.985438 0.558717 0.168693 P\n0.014562 0.441283 0.831307 P\n0.023095 0.900244 0.662260 P\n0.976905 0.099756 0.337740 P\n0.207196 0.594537 0.728709 P\n0.792804 0.405463 0.271291 P\n0.887941 0.241554 0.701275 P\n0.112059 0.758446 0.298725 P\n0.618797 0.763185 0.363528 P\n0.381203 0.236815 0.636472 P\n0.108695 0.910731 0.847904 P\n0.891305 0.089269 0.152096 P\n0.691150 0.544590 0.637837 P\n0.308850 0.455410 0.362163 P\n0.988271 0.661130 0.597721 P\n0.011729 0.338870 0.402279 P\n0.308176 0.988290 0.595366 P\n0.691824 0.011710 0.404634 P\n",
"nsites": 32,
"nelements": 2,
"elements": [
"Na",
"P"
],
"chemical_system": "Na-P",
"density": 2.215538056242707,
"density_atomic": 0.04378141440197548,
"volume": 730.9037507604166,
"volume_molar": 13.755016465909957,
"formula_full": "Na2 P30",
"formula_reduced": "NaP15",
"formula_anonymous": "AB15",
"energy": -167.35749037,
"energy_per_atom": -5.2299215740625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -167.35749037,
"band_gap": 1.4966000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014385,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:17.852000Z",
"spacegroup": 2
},
{
"id": "mp-1104180",
"created_at": "2022-09-04T14:47:39.765672Z",
"structure_string": "Pr4 Te10\n1.0\n2.232590 -22.542120 0.000000\n2.232590 22.542120 0.000000\n0.000000 0.000000 4.464766\nPr Te\n4 10\ndirect\n0.097714 0.902286 0.250000 Pr\n0.902286 0.097714 0.750000 Pr\n0.306756 0.693244 0.250000 Pr\n0.693244 0.306756 0.750000 Pr\n0.958616 0.041384 0.250000 Te\n0.041384 0.958616 0.750000 Te\n0.541839 0.458161 0.250000 Te\n0.458161 0.541839 0.750000 Te\n0.749986 0.250014 0.250000 Te\n0.250014 0.749986 0.750000 Te\n0.172586 0.827414 0.250000 Te\n0.827414 0.172586 0.750000 Te\n0.380193 0.619807 0.250000 Te\n0.619807 0.380193 0.750000 Te\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Pr",
"Te"
],
"chemical_system": "Pr-Te",
"density": 6.797469880436256,
"density_atomic": 0.031152693711656795,
"volume": 449.39934021697275,
"volume_molar": 19.33104345884099,
"formula_full": "Pr4 Te10",
"formula_reduced": "Pr2Te5",
"formula_anonymous": "A2B5",
"energy": -70.0067529,
"energy_per_atom": -5.0004823499999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.7867529,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.66e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:21.029000Z",
"spacegroup": 63
}
]
}