HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=3558",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=3556",
"results": [
{
"id": "jvasp-10239",
"created_at": "2022-09-04T14:38:13.111926Z",
"updated_at": "2022-09-04T14:38:13.111944Z",
"structure_string": "Ba4 Mn4 S8\n1.0\n4.151679 0.000000 0.000000\n0.000000 7.065082 0.000000\n0.000000 0.000000 14.010768\nBa Mn S\n4 4 8\ndirect\n0.250000 0.715323 0.627937 Ba\n0.750000 0.284677 0.372063 Ba\n0.250000 0.215323 0.872063 Ba\n0.750000 0.784677 0.127937 Ba\n0.750000 0.230170 0.634773 Mn\n0.750000 0.730170 0.865227 Mn\n0.250000 0.769830 0.365227 Mn\n0.250000 0.269830 0.134773 Mn\n0.250000 0.527833 0.244241 S\n0.750000 0.472167 0.755760 S\n0.250000 0.027833 0.255759 S\n0.750000 0.972167 0.744241 S\n0.250000 0.755223 0.953120 S\n0.750000 0.744777 0.453120 S\n0.250000 0.255223 0.546880 S\n0.750000 0.244777 0.046880 S\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"S"
],
"chemical_system": "Ba-Mn-S",
"density": 4.143962348481079,
"density_atomic": 0.038932928013982994,
"volume": 410.9631824827946,
"volume_molar": 15.46798832555597,
"formula_full": "Ba4 Mn4 S8",
"formula_reduced": "BaMnS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5864883028448271,
"spacegroup": 62
},
{
"id": "jvasp-19353",
"created_at": "2022-09-04T14:38:13.155736Z",
"updated_at": "2022-09-04T14:38:13.155756Z",
"structure_string": "Ca4 Bi4 O12\n1.0\n5.805562 0.000000 0.000000\n-0.000000 6.073500 0.000000\n0.000000 0.000000 8.403019\nCa Bi O\n4 4 12\ndirect\n0.982154 0.058934 0.250000 Ca\n0.482154 0.441066 0.750000 Ca\n0.517845 0.558934 0.250000 Ca\n0.017845 0.941065 0.750000 Ca\n0.500000 0.000000 0.000000 Bi\n0.000000 0.500000 0.000000 Bi\n0.000000 0.500000 0.500000 Bi\n0.500000 0.000000 0.500000 Bi\n0.190272 0.194671 0.927845 O\n0.690271 0.305329 0.072156 O\n0.309728 0.694671 0.927845 O\n0.809728 0.805329 0.072156 O\n0.190272 0.194671 0.572156 O\n0.363103 0.931356 0.250000 O\n0.136897 0.431356 0.250000 O\n0.636897 0.068644 0.750000 O\n0.309728 0.694671 0.572156 O\n0.863102 0.568644 0.750000 O\n0.690271 0.305329 0.427844 O\n0.809728 0.805329 0.427844 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ca",
"Bi",
"O"
],
"chemical_system": "Bi-Ca-O",
"density": 6.65931634225031,
"density_atomic": 0.0675011772037022,
"volume": 296.2911289627564,
"volume_molar": 8.921534422765157,
"formula_full": "Ca4 Bi4 O12",
"formula_reduced": "CaBiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.232815044,
"spacegroup": 62
},
{
"id": "jvasp-9247",
"created_at": "2022-09-04T14:38:13.141271Z",
"updated_at": "2022-09-04T14:38:13.141298Z",
"structure_string": "Te4 O12\n1.0\n5.051404 0.000117 0.000703\n-0.000127 5.257806 0.000738\n-0.001013 -0.001066 7.331881\nTe O\n4 12\ndirect\n0.500015 -0.000021 0.000002 Te\n0.000012 0.499978 0.000004 Te\n-0.000015 0.500018 0.500003 Te\n0.499988 0.000020 0.500002 Te\n0.130848 0.471978 0.749998 O\n0.630849 0.028023 0.250006 O\n0.369152 0.971979 0.750003 O\n0.869150 0.528025 0.249996 O\n0.319531 0.687220 0.435543 O\n0.819549 0.812834 0.564449 O\n0.180457 0.187165 0.064453 O\n0.680466 0.312782 0.935548 O\n0.319584 0.687154 0.064442 O\n0.819574 0.812798 0.935560 O\n0.680409 0.312848 0.564436 O\n0.180428 0.187208 0.435555 O\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Te",
"O"
],
"chemical_system": "O-Te",
"density": 5.989589545745285,
"density_atomic": 0.0821651961160596,
"volume": 194.72965143781505,
"volume_molar": 7.329308569401617,
"formula_full": "Te4 O12",
"formula_reduced": "TeO3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.815712066666667,
"spacegroup": 62
},
{
"id": "jvasp-19349",
"created_at": "2022-09-04T14:38:13.347345Z",
"updated_at": "2022-09-04T14:38:13.347368Z",
"structure_string": "Al4 Bi4 O12\n1.0\n5.371684 -0.000000 0.000000\n0.000000 5.411138 0.000000\n0.000000 0.000000 9.409076\nAl Bi O\n4 4 12\ndirect\n0.957023 0.029132 0.750000 Al\n0.457023 0.470868 0.250000 Al\n0.542976 0.529132 0.750000 Al\n0.042976 0.970868 0.250000 Al\n0.000000 0.500000 0.500000 Bi\n0.500000 0.000000 0.500000 Bi\n0.500000 0.000000 0.000000 Bi\n0.000000 0.500000 0.000000 Bi\n0.664548 0.211259 0.750000 O\n0.164548 0.288741 0.250000 O\n0.624295 0.368820 0.100778 O\n0.124295 0.131180 0.899222 O\n0.875704 0.868820 0.399222 O\n0.124295 0.131180 0.600778 O\n0.375705 0.631180 0.899222 O\n0.875704 0.868820 0.100778 O\n0.335452 0.788741 0.250000 O\n0.624295 0.368820 0.399222 O\n0.375705 0.631180 0.600778 O\n0.835451 0.711259 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Al",
"Bi",
"O"
],
"chemical_system": "Al-Bi-O",
"density": 6.896367958923201,
"density_atomic": 0.07312804325371183,
"volume": 273.492891511012,
"volume_molar": 8.235063447693616,
"formula_full": "Al4 Bi4 O12",
"formula_reduced": "AlBiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.6677675200000002,
"spacegroup": 62
},
{
"id": "jvasp-55817",
"created_at": "2022-09-04T14:38:13.392794Z",
"updated_at": "2022-09-04T14:38:13.392825Z",
"structure_string": "V4 Cd4 O12\n1.0\n5.307203 -0.000000 0.000000\n-0.000000 5.379474 0.000000\n0.000000 0.000000 7.583733\nV Cd O\n4 4 12\ndirect\n0.500000 0.000000 0.500000 V\n0.000000 0.500000 0.500000 V\n0.000000 0.500000 0.000000 V\n0.500000 0.000000 0.000000 V\n0.007989 0.964704 0.750000 Cd\n0.507989 0.535295 0.250000 Cd\n0.492010 0.464704 0.750000 Cd\n0.992010 0.035296 0.250000 Cd\n0.586952 0.021598 0.750000 O\n0.086952 0.478401 0.250000 O\n0.704893 0.291148 0.044510 O\n0.204893 0.208852 0.955489 O\n0.795106 0.791148 0.455490 O\n0.204893 0.208852 0.544510 O\n0.295107 0.708851 0.955489 O\n0.795106 0.791148 0.044510 O\n0.913047 0.521598 0.750000 O\n0.704893 0.291148 0.455490 O\n0.295107 0.708851 0.544510 O\n0.413047 0.978401 0.250000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"V",
"Cd",
"O"
],
"chemical_system": "Cd-O-V",
"density": 6.483719714856398,
"density_atomic": 0.09237223435916161,
"volume": 216.51527798100048,
"volume_molar": 6.519427403460568,
"formula_full": "V4 Cd4 O12",
"formula_reduced": "VCdO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.6649888899999998,
"spacegroup": 62
},
{
"id": "jvasp-49981",
"created_at": "2022-09-04T14:38:13.406662Z",
"updated_at": "2022-09-04T14:38:13.406684Z",
"structure_string": "Ag8 Se4\n1.0\n4.921210 0.000000 0.000000\n0.000000 7.174662 0.000000\n0.000000 0.000000 7.001162\nAg Se\n8 4\ndirect\n0.499971 0.857129 0.430388 Ag\n0.000020 0.329257 0.297753 Ag\n-0.000020 0.829257 0.202247 Ag\n0.500029 0.357129 0.069612 Ag\n-0.000029 0.642870 0.569612 Ag\n0.500020 0.170743 0.702247 Ag\n0.499980 0.670743 0.797753 Ag\n0.000029 0.142870 0.930388 Ag\n0.000008 0.537217 -0.033353 Se\n-0.000008 0.037217 0.533353 Se\n0.500008 0.962782 0.033353 Se\n0.499992 0.462782 0.466647 Se\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ag",
"Se"
],
"chemical_system": "Ag-Se",
"density": 7.9184549166787095,
"density_atomic": 0.048544247700106825,
"volume": 247.19715658449874,
"volume_molar": 12.405467270196771,
"formula_full": "Ag8 Se4",
"formula_reduced": "Ag2Se",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2335659622222223,
"spacegroup": 62
},
{
"id": "jvasp-21271",
"created_at": "2022-09-04T14:38:13.466402Z",
"updated_at": "2022-09-04T14:38:13.466425Z",
"structure_string": "Sr4 Zr4 S12\n1.0\n6.742349 0.000000 0.000000\n0.000000 7.164048 0.000000\n0.000000 0.000000 9.801066\nSr Zr S\n4 4 12\ndirect\n0.474237 0.081755 0.250000 Sr\n0.974237 0.418245 0.750000 Sr\n0.025763 0.581756 0.250000 Sr\n0.525763 0.918245 0.750000 Sr\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.000000 Zr\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.500000 Zr\n0.689797 0.195334 0.550778 S\n0.189797 0.304667 0.449222 S\n0.810203 0.695334 0.550778 S\n0.310203 0.804667 0.449222 S\n0.689797 0.195334 0.949222 S\n0.900084 0.980290 0.250000 S\n0.599916 0.480290 0.250000 S\n0.099916 0.019710 0.750000 S\n0.310203 0.804667 0.050778 S\n0.400084 0.519710 0.750000 S\n0.189797 0.304667 0.050778 S\n0.810203 0.695334 0.949222 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sr",
"Zr",
"S"
],
"chemical_system": "S-Sr-Zr",
"density": 3.858871701125425,
"density_atomic": 0.042246133397424994,
"volume": 473.4161067914217,
"volume_molar": 14.25489216574567,
"formula_full": "Sr4 Zr4 S12",
"formula_reduced": "SrZrS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.612770162,
"spacegroup": 62
},
{
"id": "jvasp-25639",
"created_at": "2022-09-04T14:38:13.490683Z",
"updated_at": "2022-09-04T14:38:13.490709Z",
"structure_string": "Na12 Sc4 Si8 O28\n1.0\n5.371070 0.000000 0.000000\n-0.000000 9.401914 0.000000\n0.000000 0.000000 13.109830\nNa Sc Si O\n12 4 8 28\ndirect\n0.018669 0.348358 0.403725 Na\n0.016496 0.020938 0.250000 Na\n0.981331 0.651642 0.596275 Na\n0.481331 0.848358 0.403725 Na\n0.518669 0.151642 0.903725 Na\n0.018669 0.348358 0.096275 Na\n0.516496 0.479062 0.750000 Na\n0.481331 0.848358 0.096275 Na\n0.983504 0.979061 0.750000 Na\n0.518669 0.151642 0.596275 Na\n0.981331 0.651642 0.903725 Na\n0.483504 0.520938 0.250000 Na\n0.500000 0.500000 0.000000 Sc\n0.000000 0.000000 0.500000 Sc\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Sc\n0.987152 0.676339 0.131336 Si\n0.987152 0.676339 0.368664 Si\n0.012848 0.323661 0.868664 Si\n0.487152 0.823661 0.631336 Si\n0.512848 0.176339 0.368664 Si\n0.012848 0.323661 0.631336 Si\n0.512848 0.176339 0.131336 Si\n0.487152 0.823661 0.868664 Si\n0.801725 0.131000 0.108132 O\n0.937805 0.378360 0.750000 O\n0.821494 0.409212 0.943176 O\n0.698275 0.631000 0.391868 O\n0.698275 0.631000 0.108132 O\n0.678506 0.909211 0.943176 O\n0.198275 0.869000 0.891868 O\n0.969708 0.152254 0.878710 O\n0.437805 0.121640 0.250000 O\n0.530292 0.652254 0.878710 O\n0.562195 0.878359 0.750000 O\n0.301725 0.369000 0.891868 O\n0.801725 0.131000 0.391868 O\n0.321494 0.090788 0.443176 O\n0.030292 0.847745 0.121290 O\n0.030292 0.847745 0.378710 O\n0.530292 0.652254 0.621290 O\n0.969708 0.152254 0.621290 O\n0.178506 0.590788 0.443176 O\n0.301725 0.369000 0.608132 O\n0.469708 0.347746 0.378710 O\n0.321494 0.090788 0.056824 O\n0.198275 0.869000 0.608132 O\n0.678506 0.909211 0.556824 O\n0.062195 0.621640 0.250000 O\n0.469708 0.347746 0.121290 O\n0.178506 0.590788 0.056824 O\n0.821494 0.409212 0.556824 O\n",
"nsites": 52,
"nelements": 4,
"elements": [
"Na",
"Sc",
"Si",
"O"
],
"chemical_system": "Na-O-Sc-Si",
"density": 2.830256147470823,
"density_atomic": 0.07854692663488548,
"volume": 662.024629451319,
"volume_molar": 7.666933663735932,
"formula_full": "Na12 Sc4 Si8 O28",
"formula_reduced": "Na3ScSi2O7",
"formula_anonymous": "AB2C3D7",
"energy_above_hull": 2.014823380769231,
"spacegroup": 62
},
{
"id": "jvasp-99281",
"created_at": "2022-09-04T14:38:13.856848Z",
"updated_at": "2022-09-04T14:38:13.856870Z",
"structure_string": "Rb8 C4 O12\n1.0\n6.038505 0.000000 0.000000\n-0.000000 6.990549 0.000000\n0.000000 0.000000 10.054353\nRb C O\n8 4 12\ndirect\n0.750001 0.763995 0.914330 Rb\n0.250000 0.736006 0.414330 Rb\n0.250000 0.562083 0.749697 Rb\n0.750001 0.263995 0.585669 Rb\n0.750001 0.937917 0.249697 Rb\n0.250000 0.062083 0.750303 Rb\n0.250000 0.236005 0.085669 Rb\n0.750001 0.437917 0.250303 Rb\n0.250000 0.724883 0.082214 C\n0.750001 0.275117 0.917786 C\n0.750001 0.775117 0.582214 C\n0.250000 0.224883 0.417786 C\n0.436342 0.674037 0.137125 O\n0.936342 0.325963 0.862875 O\n0.063659 0.174037 0.362875 O\n0.063659 0.674037 0.137125 O\n0.563659 0.825963 0.637125 O\n0.750001 0.174630 0.026935 O\n0.250000 0.825371 0.973065 O\n0.936342 0.825963 0.637125 O\n0.750001 0.674630 0.473065 O\n0.563659 0.325963 0.862875 O\n0.250000 0.325371 0.526935 O\n0.436342 0.174037 0.362875 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Rb",
"C",
"O"
],
"chemical_system": "C-O-Rb",
"density": 3.6142806224077813,
"density_atomic": 0.05654788919883825,
"volume": 424.4190250074457,
"volume_molar": 10.64962962423666,
"formula_full": "Rb8 C4 O12",
"formula_reduced": "Rb2CO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.7935134166666664,
"spacegroup": 62
},
{
"id": "jvasp-12378",
"created_at": "2022-09-04T14:38:13.916613Z",
"updated_at": "2022-09-04T14:38:13.916636Z",
"structure_string": "Ho4 Mn4 Ge4\n1.0\n4.078884 -0.000000 0.000000\n0.000000 7.007749 0.000000\n0.000000 0.000000 7.843865\nHo Mn Ge\n4 4 4\ndirect\n0.250000 0.522563 0.183690 Ho\n0.749999 0.477437 0.816310 Ho\n0.250000 0.022563 0.316310 Ho\n0.749999 0.977437 0.683689 Ho\n0.749999 0.366761 0.443756 Mn\n0.250000 0.133239 0.943756 Mn\n0.749999 0.866761 0.056244 Mn\n0.250000 0.633239 0.556243 Mn\n0.250000 0.274113 0.617147 Ge\n0.749999 0.225887 0.117147 Ge\n0.250000 0.774113 0.882852 Ge\n0.749999 0.725888 0.382853 Ge\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ho",
"Mn",
"Ge"
],
"chemical_system": "Ge-Ho-Mn",
"density": 8.665574812911343,
"density_atomic": 0.05352186557915727,
"volume": 224.20743130211616,
"volume_molar": 11.251739256161448,
"formula_full": "Ho4 Mn4 Ge4",
"formula_reduced": "HoMnGe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.749136252681992,
"spacegroup": 62
},
{
"id": "jvasp-10784",
"created_at": "2022-09-04T14:38:13.517823Z",
"updated_at": "2022-09-04T14:38:13.517844Z",
"structure_string": "Tb8 Pt4\n1.0\n4.764537 0.000000 0.000000\n0.000000 7.143115 0.000000\n0.000000 0.000000 8.805070\nTb Pt\n8 4\ndirect\n0.750000 0.144785 0.082585 Tb\n0.250000 0.855216 0.917415 Tb\n0.750000 0.644785 0.417415 Tb\n0.250000 0.355215 0.582585 Tb\n0.750000 0.008363 0.668525 Tb\n0.250000 0.991638 0.331475 Tb\n0.750000 0.508363 0.831475 Tb\n0.250000 0.491637 0.168525 Tb\n0.750000 0.741209 0.091962 Pt\n0.250000 0.258792 0.908038 Pt\n0.750000 0.241208 0.408038 Pt\n0.250000 0.758792 0.591962 Pt\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Tb",
"Pt"
],
"chemical_system": "Pt-Tb",
"density": 11.369202710523057,
"density_atomic": 0.04004424290776433,
"volume": 299.6685448053077,
"volume_molar": 15.038717984682748,
"formula_full": "Tb8 Pt4",
"formula_reduced": "Tb2Pt",
"formula_anonymous": "AB2",
"energy_above_hull": 1.2955160666666667,
"spacegroup": 62
},
{
"id": "jvasp-58842",
"created_at": "2022-09-04T14:38:13.553542Z",
"updated_at": "2022-09-04T14:38:13.553559Z",
"structure_string": "Tl4 Cd4 Cl12\n1.0\n4.000012 0.000000 0.000000\n-0.000000 8.917183 0.000000\n0.000000 0.000000 14.852913\nTl Cd Cl\n4 4 12\ndirect\n0.250000 0.929397 0.323815 Tl\n0.750000 0.070602 0.676184 Tl\n0.250000 0.429398 0.176184 Tl\n0.750000 0.570602 0.823815 Tl\n0.250000 0.668536 0.557113 Cd\n0.750000 0.331464 0.442886 Cd\n0.250000 0.168536 0.942886 Cd\n0.750000 0.831464 0.057114 Cd\n0.250000 0.291007 0.787254 Cl\n0.750000 0.708993 0.212746 Cl\n0.750000 0.834759 0.494907 Cl\n0.250000 0.165240 0.505093 Cl\n0.750000 0.334760 0.005093 Cl\n0.750000 0.474976 0.602887 Cl\n0.750000 0.974976 0.897112 Cl\n0.250000 0.025024 0.102887 Cl\n0.750000 0.208993 0.287254 Cl\n0.250000 0.525024 0.397113 Cl\n0.250000 0.665240 0.994907 Cl\n0.250000 0.791006 0.712746 Cl\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Tl",
"Cd",
"Cl"
],
"chemical_system": "Cd-Cl-Tl",
"density": 5.305254349430621,
"density_atomic": 0.03775108036604501,
"volume": 529.7861625700356,
"volume_molar": 15.952234218484985,
"formula_full": "Tl4 Cd4 Cl12",
"formula_reduced": "TlCdCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 62
}
]
}