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=-nelements&page=192",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=190",
"results": [
{
"id": "jvasp-88814",
"created_at": "2022-09-04T14:35:43.716498Z",
"updated_at": "2022-09-04T14:35:43.716534Z",
"structure_string": "Na2 Si4 Cu5 O14\n1.0\n5.788945 0.004839 0.146128\n2.504915 6.516317 3.301045\n-0.004292 -0.036785 7.971395\nNa Si Cu O\n2 4 5 14\ndirect\n0.232375 0.633772 0.056823 Na\n0.767624 0.366228 0.943178 Na\n0.305187 0.284639 0.905942 Si\n0.581985 0.103345 0.318422 Si\n0.418013 0.896655 0.681579 Si\n0.180274 0.932070 0.223276 Si\n0.010184 0.736542 0.632831 Cu\n0.989814 0.263458 0.367169 Cu\n0.819725 0.067930 0.776724 Cu\n0.694812 0.715361 0.094058 Cu\n0.499999 0.500000 0.500000 Cu\n0.806596 0.897289 0.033756 O\n0.511385 0.293981 0.755254 O\n0.488614 0.706019 0.244746 O\n0.811931 0.282547 0.527772 O\n0.715443 0.853063 0.547944 O\n0.939834 0.499130 0.208276 O\n0.060165 0.500870 0.791725 O\n0.284556 0.146937 0.452056 O\n0.909074 0.139983 0.265334 O\n0.090925 0.860017 0.734666 O\n0.188067 0.717453 0.472228 O\n0.193403 0.102711 0.966244 O\n0.418448 0.306402 0.078435 O\n0.581550 0.693598 0.921565 O\n",
"nsites": 25,
"nelements": 4,
"elements": [
"Na",
"Si",
"Cu",
"O"
],
"chemical_system": "Cu-Na-O-Si",
"density": 3.858129040334984,
"density_atomic": 0.08297415858886693,
"volume": 301.298626285249,
"volume_molar": 7.257850953137622,
"formula_full": "Na2 Si4 Cu5 O14",
"formula_reduced": "Na2Cu5(Si2O7)2",
"formula_anonymous": "A2B4C5D14",
"energy_above_hull": 2.109159746,
"spacegroup": 1
},
{
"id": "jvasp-90668",
"created_at": "2022-09-04T14:35:46.184865Z",
"updated_at": "2022-09-04T14:35:46.184891Z",
"structure_string": "Zn1 Cu2 Sn1 S4\n1.0\n5.458983 -0.000000 -0.000000\n0.000000 5.458983 0.000000\n-2.729492 -2.729492 5.455373\nZn Cu Sn S\n1 2 1 4\ndirect\n0.750000 0.250000 0.500000 Zn\n0.000000 0.000000 0.000000 Cu\n0.250000 0.750000 0.500000 Cu\n0.500000 0.500000 0.000000 Sn\n0.364064 0.888171 0.258998 S\n0.894933 0.370827 0.258998 S\n0.111828 0.105066 0.741002 S\n0.629173 0.635936 0.741002 S\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Zn",
"Cu",
"Sn",
"S"
],
"chemical_system": "Cu-S-Sn-Zn",
"density": 4.488811680157378,
"density_atomic": 0.04920871828608776,
"volume": 162.57281796062856,
"volume_molar": 12.237954918859517,
"formula_full": "Zn1 Cu2 Sn1 S4",
"formula_reduced": "ZnCu2SnS4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.746070375,
"spacegroup": 82
},
{
"id": "jvasp-92256",
"created_at": "2022-09-04T14:35:43.575797Z",
"updated_at": "2022-09-04T14:35:43.575828Z",
"structure_string": "Li2 Mn1 Sn1 O4\n1.0\n5.505548 -0.092383 -0.000000\n2.326434 4.990722 -0.000000\n-3.915990 -2.449169 2.997696\nLi Mn Sn O\n2 1 1 4\ndirect\n0.250000 0.750000 0.500001 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Mn\n0.750000 0.250001 0.500001 Sn\n0.521430 0.021431 0.500001 O\n0.245257 0.245257 0.000000 O\n0.978570 0.478571 0.500001 O\n0.754743 0.754743 0.000000 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Sn",
"O"
],
"chemical_system": "Li-Mn-O-Sn",
"density": 5.031522959797387,
"density_atomic": 0.09637283253391223,
"volume": 83.01094602760497,
"volume_molar": 6.2487950199875,
"formula_full": "Li2 Mn1 Sn1 O4",
"formula_reduced": "Li2MnSnO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.051661617672414,
"spacegroup": 119
},
{
"id": "jvasp-90524",
"created_at": "2022-09-04T14:35:45.278185Z",
"updated_at": "2022-09-04T14:35:45.278210Z",
"structure_string": "Li3 Mn1 O1 F4\n1.0\n-3.597187 0.000171 -0.000327\n-1.798305 5.067712 0.072409\n-1.798098 -0.072319 -5.064633\nLi Mn O F\n3 1 1 4\ndirect\n0.785615 0.579386 0.849406 Li\n0.436079 0.749065 0.378797 Li\n0.599463 0.252882 0.548230 Li\n0.981038 0.025900 0.012083 Mn\n0.528294 0.945922 -0.002470 O\n0.868873 0.890120 0.372165 F\n0.698402 0.405785 0.197429 F\n0.333209 0.610130 0.723483 F\n0.058081 0.206982 0.676881 F\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.0179321980343503,
"density_atomic": 0.09750566675282991,
"volume": 92.30232764639592,
"volume_molar": 6.176195661802621,
"formula_full": "Li3 Mn1 O1 F4",
"formula_reduced": "Li3MnOF4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.7653424301532568,
"spacegroup": 8
},
{
"id": "jvasp-60874",
"created_at": "2022-09-04T14:35:42.540194Z",
"updated_at": "2022-09-04T14:35:42.540223Z",
"structure_string": "Na4 Cu1 As2 O8\n1.0\n4.901054 -0.038556 0.012011\n-1.661860 5.669210 0.039814\n-0.080714 -1.030143 6.905863\nNa Cu As O\n4 1 2 8\ndirect\n0.284540 0.567351 0.168271 Na\n0.715460 0.432648 0.831728 Na\n0.843402 0.747526 0.417029 Na\n0.156598 0.252474 0.582970 Na\n0.000000 0.000000 0.000000 Cu\n0.597309 0.196175 0.267480 As\n0.402691 0.803825 0.732519 As\n0.686084 0.271336 0.509123 O\n0.313916 0.728664 0.490876 O\n0.672438 0.936937 0.164603 O\n0.327562 0.063063 0.835396 O\n0.226763 0.144303 0.244183 O\n0.773236 0.855697 0.755816 O\n0.762392 0.438184 0.155952 O\n0.237608 0.561815 0.844047 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Na",
"Cu",
"As",
"O"
],
"chemical_system": "As-Cu-Na-O",
"density": 3.754386140966662,
"density_atomic": 0.07826162043456876,
"volume": 191.6648277496486,
"volume_molar": 7.694883809663587,
"formula_full": "Na4 Cu1 As2 O8",
"formula_reduced": "Na4Cu(AsO4)2",
"formula_anonymous": "AB2C4D8",
"energy_above_hull": 1.6047138633333335,
"spacegroup": 2
},
{
"id": "jvasp-91618",
"created_at": "2022-09-04T14:35:43.594506Z",
"updated_at": "2022-09-04T14:35:43.594533Z",
"structure_string": "Zr2 Cu2 Ge2 As2\n1.0\n3.745069 0.000000 -0.000000\n0.000000 3.745069 0.000000\n0.000000 0.000000 9.701641\nZr Cu Ge As\n2 2 2 2\ndirect\n0.750000 0.750000 0.773217 Zr\n0.250000 0.250000 0.226782 Zr\n0.750000 0.250000 0.500000 Cu\n0.250000 0.750000 0.500000 Cu\n0.750000 0.250000 0.000000 Ge\n0.250000 0.750000 0.000000 Ge\n0.750000 0.750000 0.322557 As\n0.250000 0.250000 0.677443 As\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Zr",
"Cu",
"Ge",
"As"
],
"chemical_system": "As-Cu-Ge-Zr",
"density": 7.379004723345118,
"density_atomic": 0.05879293481468133,
"volume": 136.07077151729973,
"volume_molar": 10.242966742487221,
"formula_full": "Zr2 Cu2 Ge2 As2",
"formula_reduced": "ZrCuGeAs",
"formula_anonymous": "ABCD",
"energy_above_hull": 1.6041431624999998,
"spacegroup": 129
},
{
"id": "jvasp-12119",
"created_at": "2022-09-04T14:35:43.596083Z",
"updated_at": "2022-09-04T14:35:43.596111Z",
"structure_string": "Cr2 Ag2 P4 S12\n1.0\n5.948020 0.002108 0.000000\n-1.860204 6.500327 0.000000\n0.000000 0.000000 10.642941\nCr Ag P S\n2 2 4 12\ndirect\n0.250000 0.000000 0.081813 Cr\n0.750000 0.000000 0.918187 Cr\n0.250000 0.000000 0.438634 Ag\n0.750000 0.000000 0.561366 Ag\n0.202089 0.828549 0.754444 P\n0.797912 0.171452 0.245555 P\n0.702089 0.828549 0.245555 P\n0.297912 0.171452 0.754444 P\n0.016877 0.712433 0.604061 S\n0.492020 0.225778 0.925566 S\n0.507981 0.774223 0.074434 S\n0.516877 0.712433 0.395939 S\n0.983603 0.239074 0.768532 S\n0.483603 0.239074 0.231468 S\n0.483124 0.287568 0.604061 S\n0.516398 0.760927 0.768532 S\n0.983124 0.287568 0.395939 S\n0.007980 0.774223 0.925566 S\n0.992021 0.225778 0.074434 S\n0.016398 0.760926 0.231468 S\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Cr",
"Ag",
"P",
"S"
],
"chemical_system": "Ag-Cr-P-S",
"density": 3.3425489580243153,
"density_atomic": 0.04859780706656187,
"volume": 411.5412033429214,
"volume_molar": 12.391795275354276,
"formula_full": "Cr2 Ag2 P4 S12",
"formula_reduced": "CrAg(PS3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.5779535660000006,
"spacegroup": 13
},
{
"id": "jvasp-105669",
"created_at": "2022-09-04T14:35:45.264196Z",
"updated_at": "2022-09-04T14:35:45.264218Z",
"structure_string": "Rb2 Al1 Hg1 Br6\n1.0\n6.699113 -0.000000 3.867735\n2.233038 6.315985 3.867735\n-0.000000 -0.000000 7.735469\nRb Al Hg Br\n2 1 1 6\ndirect\n0.750000 0.749999 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500001 Hg\n0.769009 0.230991 0.230992 Br\n0.230991 0.230991 0.769010 Br\n0.230991 0.769009 0.769010 Br\n0.230991 0.769009 0.230991 Br\n0.769009 0.230991 0.769010 Br\n0.769009 0.769009 0.230992 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Al",
"Hg",
"Br"
],
"chemical_system": "Al-Br-Hg-Rb",
"density": 4.454146600199461,
"density_atomic": 0.030553077140105245,
"volume": 327.299275098991,
"volume_molar": 19.710423052920866,
"formula_full": "Rb2 Al1 Hg1 Br6",
"formula_reduced": "Rb2AlHgBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-90855",
"created_at": "2022-09-04T14:35:45.681994Z",
"updated_at": "2022-09-04T14:35:45.682020Z",
"structure_string": "Nd2 As2 Ru2 O2\n1.0\n4.116438 0.000000 0.000000\n0.000000 4.116438 0.000000\n-0.000000 -0.000000 8.330649\nNd As Ru O\n2 2 2 2\ndirect\n0.750000 0.750000 0.638265 Nd\n0.250000 0.250000 0.361735 Nd\n0.750000 0.750000 0.159260 As\n0.250000 0.250000 0.840740 As\n0.750000 0.250000 0.000000 Ru\n0.250000 0.750000 0.000000 Ru\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Nd",
"As",
"Ru",
"O"
],
"chemical_system": "As-Nd-O-Ru",
"density": 7.910381606970567,
"density_atomic": 0.056671928714854575,
"volume": 141.16336220445376,
"volume_molar": 10.626320466876058,
"formula_full": "Nd2 As2 Ru2 O2",
"formula_reduced": "NdAsRuO",
"formula_anonymous": "ABCD",
"energy_above_hull": 2.2323218125000004,
"spacegroup": 129
},
{
"id": "jvasp-86545",
"created_at": "2022-09-04T14:35:43.676899Z",
"updated_at": "2022-09-04T14:35:43.676926Z",
"structure_string": "La2 B4 Cl2 O8\n1.0\n4.257664 0.001656 0.055199\n2.035360 6.257138 0.908575\n-0.001792 0.001461 8.154298\nLa B Cl O\n2 4 2 8\ndirect\n0.213967 0.030638 0.222506 La\n0.786033 0.969363 0.777494 La\n0.166131 0.350616 0.853124 B\n0.437431 0.436238 0.193654 B\n0.833868 0.649385 0.146875 B\n0.562568 0.563763 0.806346 B\n0.145245 0.205318 0.541713 Cl\n0.854754 0.794683 0.458286 Cl\n0.900185 0.536031 0.823893 O\n0.477249 0.375686 0.818774 O\n0.635213 0.235332 0.209418 O\n0.522750 0.624315 0.181226 O\n0.364786 0.764668 0.790581 O\n0.099814 0.463969 0.176106 O\n0.838081 0.845402 0.079647 O\n0.161918 0.154598 0.920353 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"La",
"B",
"Cl",
"O"
],
"chemical_system": "B-Cl-La-O",
"density": 3.975088487944328,
"density_atomic": 0.07366326680132351,
"volume": 217.20459456615527,
"volume_molar": 8.175229013725739,
"formula_full": "La2 B4 Cl2 O8",
"formula_reduced": "LaB2ClO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.633736029270833,
"spacegroup": 2
},
{
"id": "jvasp-87859",
"created_at": "2022-09-04T14:35:40.845385Z",
"updated_at": "2022-09-04T14:35:40.845395Z",
"structure_string": "Ba12 Al8 Si12 O48\n1.0\n10.320051 0.000000 -3.648689\n-5.160026 8.937427 -3.648689\n-0.000000 0.000000 10.946068\nBa Al Si O\n12 8 12 48\ndirect\n0.250000 0.375000 0.125000 Ba\n0.250000 0.875000 0.625000 Ba\n0.875000 0.625000 0.250000 Ba\n0.625000 0.875000 0.750000 Ba\n0.875000 0.750000 0.625000 Ba\n0.625000 0.250000 0.875000 Ba\n0.375000 0.750000 0.125000 Ba\n0.750000 0.125000 0.375000 Ba\n0.125000 0.375000 0.750000 Ba\n0.375000 0.125000 0.250000 Ba\n0.125000 0.250000 0.375000 Ba\n0.750000 0.625000 0.875000 Ba\n-0.000000 0.500000 0.500000 Al\n0.500000 -0.000000 0.500000 Al\n0.500000 0.500000 0.500000 Al\n0.500000 -0.000000 -0.000000 Al\n0.000000 0.000000 0.500000 Al\n-0.000000 0.500000 -0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 -0.000000 Al\n0.625000 0.750000 0.375000 Si\n0.250000 0.125000 0.875000 Si\n0.750000 0.875000 0.125000 Si\n0.375000 0.250000 0.625000 Si\n0.625000 0.375000 0.250000 Si\n0.875000 0.250000 0.125000 Si\n0.875000 0.125000 0.750000 Si\n0.750000 0.375000 0.625000 Si\n0.125000 0.875000 0.250000 Si\n0.375000 0.625000 0.750000 Si\n0.125000 0.750000 0.875000 Si\n0.250000 0.625000 0.375000 Si\n0.195091 0.184532 0.582450 O\n0.315468 0.510560 0.397918 O\n0.989440 0.304909 0.887358 O\n0.102082 0.612642 0.917550 O\n0.184532 0.582451 0.195091 O\n0.184532 0.102082 0.989441 O\n0.582450 0.195091 0.184532 O\n0.612642 0.195091 0.510559 O\n0.684532 0.695091 0.082450 O\n0.917549 0.315468 0.304909 O\n0.804909 0.815469 0.417550 O\n0.112642 0.602083 0.417550 O\n0.695091 0.082450 0.684532 O\n0.082450 0.684532 0.695091 O\n0.010559 0.815469 0.897918 O\n0.804909 0.489441 0.387358 O\n0.417550 0.112642 0.602082 O\n0.387358 0.804909 0.489441 O\n0.897918 0.010559 0.815468 O\n0.602082 0.417550 0.112642 O\n0.112642 0.010559 0.695091 O\n0.387358 0.082450 0.897918 O\n0.082450 0.897918 0.387358 O\n0.489440 0.602083 0.684532 O\n0.602082 0.684532 0.489441 O\n0.695091 0.112642 0.010559 O\n0.489441 0.387358 0.804909 O\n0.304909 0.917550 0.315468 O\n0.417549 0.804909 0.815468 O\n0.815468 0.417550 0.804909 O\n0.989441 0.184532 0.102082 O\n0.195091 0.510560 0.612642 O\n0.582450 0.887359 0.397918 O\n0.102082 0.989441 0.184532 O\n0.510559 0.612642 0.195091 O\n0.397917 0.582451 0.887358 O\n0.887358 0.989441 0.304909 O\n0.815468 0.897918 0.010559 O\n0.612641 0.917550 0.102082 O\n0.510559 0.397918 0.315468 O\n0.397917 0.315468 0.510559 O\n0.304909 0.887359 0.989441 O\n0.315468 0.304909 0.917550 O\n0.684532 0.489441 0.602082 O\n0.010559 0.695091 0.112642 O\n0.897917 0.387358 0.082450 O\n0.917550 0.102082 0.612642 O\n0.887358 0.397918 0.582450 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Ba",
"Al",
"Si",
"O"
],
"chemical_system": "Al-Ba-O-Si",
"density": 4.8828532334835755,
"density_atomic": 0.07923872779235858,
"volume": 1009.6073249640795,
"volume_molar": 7.599996779075935,
"formula_full": "Ba12 Al8 Si12 O48",
"formula_reduced": "Ba3Al2(SiO4)3",
"formula_anonymous": "A2B3C3D12",
"energy_above_hull": 2.4411030655,
"spacegroup": 230
},
{
"id": "jvasp-95952",
"created_at": "2022-09-04T14:35:45.190086Z",
"updated_at": "2022-09-04T14:35:45.190104Z",
"structure_string": "Ba4 Nd2 Ru2 O12\n1.0\n6.029518 0.000000 0.000000\n0.000000 6.075574 -0.019554\n0.000000 -0.000908 8.532066\nBa Nd Ru O\n4 2 2 12\ndirect\n0.500081 0.501558 0.748826 Ba\n0.999919 0.001559 0.248825 Ba\n0.000081 0.998440 0.751176 Ba\n0.499919 0.498440 0.251175 Ba\n0.000000 0.500000 0.000000 Nd\n0.500000 -0.000000 0.500000 Nd\n0.000000 0.499999 0.500000 Ru\n0.500000 0.000000 0.000000 Ru\n0.769307 0.271770 0.478453 O\n0.269307 0.228229 0.021547 O\n0.000054 0.541420 0.270960 O\n0.269518 0.771557 0.978499 O\n0.769518 0.728441 0.521502 O\n0.730482 0.228442 0.021501 O\n0.230482 0.271558 0.478499 O\n0.499946 0.041420 0.770960 O\n0.999946 0.458579 0.729041 O\n0.500054 0.958579 0.229041 O\n0.730694 0.771770 0.978454 O\n0.230694 0.728229 0.521548 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ba",
"Nd",
"Ru",
"O"
],
"chemical_system": "Ba-Nd-O-Ru",
"density": 6.5449951212858855,
"density_atomic": 0.06398910373022415,
"volume": 312.55321350208794,
"volume_molar": 9.411197233499532,
"formula_full": "Ba4 Nd2 Ru2 O12",
"formula_reduced": "Ba2NdRuO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.148671494,
"spacegroup": 12
}
]
}