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=4593",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=4591",
"results": [
{
"id": "jvasp-26766",
"created_at": "2022-09-04T14:38:28.742849Z",
"updated_at": "2022-09-04T14:38:28.742876Z",
"structure_string": "Er12 Si4 Se8 O40 F4\n1.0\n5.853451 0.000000 0.000000\n0.000000 10.285168 0.000000\n0.000000 0.000000 15.393582\nEr Si Se O F\n12 4 8 40 4\ndirect\n0.928074 0.886561 0.652729 Er\n0.250000 0.125963 0.000000 Er\n0.571926 0.886561 0.347271 Er\n0.928074 0.613439 0.847271 Er\n0.750000 0.874037 0.000000 Er\n0.571926 0.613439 0.152729 Er\n0.071926 0.386561 0.152729 Er\n0.428074 0.113439 0.652729 Er\n0.750000 0.625963 0.500000 Er\n0.250000 0.374037 0.500000 Er\n0.071926 0.113439 0.347271 Er\n0.428074 0.386561 0.847271 Er\n0.750000 0.357346 0.000000 Si\n0.250000 0.857346 0.500000 Si\n0.750000 0.142654 0.500000 Si\n0.250000 0.642654 0.000000 Si\n0.035377 0.616302 0.324778 Se\n0.464623 0.883698 0.824778 Se\n0.535377 0.383698 0.324778 Se\n0.464623 0.616302 0.675222 Se\n0.964622 0.383698 0.675222 Se\n0.964622 0.116302 0.824778 Se\n0.035377 0.883698 0.175222 Se\n0.535377 0.116302 0.175222 Se\n0.321646 0.281199 0.361106 O\n0.769940 0.446669 0.911048 O\n0.269940 0.553331 0.911048 O\n0.321646 0.218801 0.138894 O\n0.521322 0.273607 0.972308 O\n0.178354 0.281199 0.638894 O\n0.479314 0.513500 0.586397 O\n0.021322 0.726393 0.972308 O\n0.821646 0.718801 0.361106 O\n0.678354 0.781199 0.861106 O\n0.520686 0.486500 0.413603 O\n0.269940 0.946669 0.588952 O\n0.120459 0.032984 0.745181 O\n0.678354 0.718801 0.638894 O\n0.020686 0.513500 0.413603 O\n0.978678 0.273607 0.027691 O\n0.620459 0.967016 0.745181 O\n0.521322 0.226393 0.527691 O\n0.620459 0.532984 0.754819 O\n0.379541 0.467016 0.245181 O\n0.978678 0.226393 0.472308 O\n0.230060 0.946669 0.411048 O\n0.479314 0.986500 0.913603 O\n0.979314 0.013500 0.913603 O\n0.230060 0.553331 0.088952 O\n0.021322 0.773607 0.527691 O\n0.379541 0.032984 0.254819 O\n0.730060 0.446669 0.088952 O\n0.020686 0.986500 0.086397 O\n0.120459 0.467016 0.754819 O\n0.478678 0.726393 0.027691 O\n0.730060 0.053331 0.411048 O\n0.478678 0.773607 0.472308 O\n0.879540 0.967016 0.254819 O\n0.520686 0.013500 0.086397 O\n0.821646 0.781199 0.138894 O\n0.979314 0.486500 0.586397 O\n0.178354 0.218801 0.861106 O\n0.879540 0.532984 0.245181 O\n0.769940 0.053331 0.588952 O\n0.436771 0.750000 0.250000 F\n0.936771 0.250000 0.250000 F\n0.563229 0.250000 0.750000 F\n0.063229 0.750000 0.750000 F\n",
"nsites": 68,
"nelements": 5,
"elements": [
"Er",
"Si",
"Se",
"O",
"F"
],
"chemical_system": "Er-F-O-Se-Si",
"density": 6.212299001091217,
"density_atomic": 0.07337461679428368,
"volume": 926.7510069680882,
"volume_molar": 8.207389725637599,
"formula_full": "Er12 Si4 Se8 O40 F4",
"formula_reduced": "Er3SiSe2O10F",
"formula_anonymous": "ABC2D3E10",
"energy_above_hull": 2.338732977401961,
"spacegroup": 52
},
{
"id": "jvasp-112360",
"created_at": "2022-09-04T14:38:26.617275Z",
"updated_at": "2022-09-04T14:38:26.617299Z",
"structure_string": "Li4 Al2 Cr4 Sb2 O16\n1.0\n5.847101 -0.005946 0.026503\n2.956406 5.044630 0.026503\n-0.006831 -0.003910 9.542702\nLi Al Cr Sb O\n4 2 4 2 16\ndirect\n0.334201 0.334200 0.598241 Li\n0.665572 0.665571 0.093147 Li\n0.001577 0.001577 0.007031 Li\n0.998243 0.998241 0.513575 Li\n0.340277 0.830141 0.785678 Al\n0.830142 0.340276 0.785678 Al\n0.168479 0.660600 0.285981 Cr\n0.830068 0.830066 0.785808 Cr\n0.168800 0.168800 0.285630 Cr\n0.660601 0.168478 0.285981 Cr\n0.333970 0.333970 0.009397 Sb\n0.664786 0.664785 0.514175 Sb\n0.331747 0.331747 0.392761 O\n0.517061 0.517060 0.662728 O\n0.484764 0.032099 0.158577 O\n0.032100 0.484763 0.158577 O\n0.483095 0.483095 0.159431 O\n0.659831 0.659830 0.887234 O\n0.836470 0.323559 0.404998 O\n0.008099 0.008099 0.700531 O\n0.836529 0.836528 0.405963 O\n0.169691 0.676594 0.900275 O\n0.676594 0.169690 0.900275 O\n0.165122 0.165121 0.898323 O\n0.965479 0.513107 0.661723 O\n0.000046 0.000046 0.190949 O\n0.323560 0.836469 0.404998 O\n0.513108 0.965477 0.661723 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Al",
"Cr",
"Sb",
"O"
],
"chemical_system": "Al-Cr-Li-O-Sb",
"density": 4.653142137412998,
"density_atomic": 0.09941596614539702,
"volume": 281.644901574961,
"volume_molar": 6.057518720074147,
"formula_full": "Li4 Al2 Cr4 Sb2 O16",
"formula_reduced": "Li2AlCr2SbO8",
"formula_anonymous": "ABC2D2E8",
"energy_above_hull": 2.797474407142857,
"spacegroup": 8
},
{
"id": "jvasp-110166",
"created_at": "2022-09-04T14:38:26.884769Z",
"updated_at": "2022-09-04T14:38:26.884798Z",
"structure_string": "Sr1 La1 Tl1 Cu1 O5\n1.0\n3.786608 -0.000000 0.000000\n0.000000 3.786608 0.000000\n-0.000000 -0.000000 8.901052\nSr La Tl Cu O\n1 1 1 1 5\ndirect\n0.500000 0.500000 0.784421 Sr\n0.500000 0.500000 0.197012 La\n0.000000 0.000000 0.497873 Tl\n0.000000 0.000000 0.988280 Cu\n0.000000 0.000000 0.734248 O\n0.000000 0.000000 0.259758 O\n-0.000000 0.500000 0.008518 O\n0.500000 0.000000 0.008518 O\n0.500000 0.500000 0.481371 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Sr",
"La",
"Tl",
"Cu",
"O"
],
"chemical_system": "Cu-La-O-Sr-Tl",
"density": 7.4741297864872065,
"density_atomic": 0.07051807932189043,
"volume": 127.62684529336285,
"volume_molar": 8.539853634570829,
"formula_full": "Sr1 La1 Tl1 Cu1 O5",
"formula_reduced": "SrLaTlCuO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 1.3801857622222222,
"spacegroup": 99
},
{
"id": "jvasp-108178",
"created_at": "2022-09-04T14:38:16.585679Z",
"updated_at": "2022-09-04T14:38:16.585700Z",
"structure_string": "Ba1 Y1 Cr1 Cu1 O5\n1.0\n3.894077 -0.000812 0.000004\n0.000813 3.894077 0.000046\n-0.000009 -0.000093 7.607770\nBa Y Cr Cu O\n1 1 1 1 5\ndirect\n0.999999 1.000001 0.984754 Ba\n-0.000001 -0.000000 0.456986 Y\n0.499999 0.500000 0.696266 Cr\n0.499999 0.500001 0.260137 Cu\n-0.000002 0.500000 0.649636 O\n0.499999 1.000000 0.649636 O\n-0.000001 0.500001 0.277575 O\n0.500000 0.000001 0.277575 O\n0.499999 0.500000 0.935354 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Ba",
"Y",
"Cr",
"Cu",
"O"
],
"chemical_system": "Ba-Cr-Cu-O-Y",
"density": 6.0710013288140425,
"density_atomic": 0.07801462878697775,
"volume": 115.36297922502307,
"volume_molar": 7.71924554873383,
"formula_full": "Ba1 Y1 Cr1 Cu1 O5",
"formula_reduced": "BaYCrCuO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 2.229171863333333,
"spacegroup": 99
},
{
"id": "jvasp-9465",
"created_at": "2022-09-04T14:38:14.336358Z",
"updated_at": "2022-09-04T14:38:14.336386Z",
"structure_string": "Ba2 Y1 Tl1 Fe2 O7\n1.0\n3.908135 0.000000 0.000000\n0.000000 3.908135 -0.000000\n-0.000000 0.000000 13.025072\nBa Y Tl Fe O\n2 1 1 2 7\ndirect\n0.500001 0.500001 0.201105 Ba\n0.500001 0.500001 0.798837 Ba\n0.500001 0.500001 0.500008 Y\n0.000000 0.000000 -0.000045 Tl\n0.000000 0.000000 0.361062 Fe\n0.000000 0.000000 0.638959 Fe\n0.000000 0.000000 0.215650 O\n0.500001 0.000000 0.391940 O\n0.000000 0.500001 0.391940 O\n0.000000 0.500001 0.608108 O\n0.500001 0.500001 -0.000029 O\n0.500001 0.000000 0.608108 O\n0.000000 0.000000 0.784381 O\n",
"nsites": 13,
"nelements": 5,
"elements": [
"Ba",
"Y",
"Tl",
"Fe",
"O"
],
"chemical_system": "Ba-Fe-O-Tl-Y",
"density": 6.607718275501593,
"density_atomic": 0.06534676686927694,
"volume": 198.93868698976146,
"volume_molar": 9.215667505091725,
"formula_full": "Ba2 Y1 Tl1 Fe2 O7",
"formula_reduced": "Ba2YTlFe2O7",
"formula_anonymous": "ABC2D2E7",
"energy_above_hull": 2.239873499230769,
"spacegroup": 123
},
{
"id": "jvasp-59848",
"created_at": "2022-09-04T14:38:33.432685Z",
"updated_at": "2022-09-04T14:38:33.432699Z",
"structure_string": "Y2 Cr6 Se4 Cl2 O16\n1.0\n6.496835 0.000000 0.000000\n0.000000 7.004044 0.000000\n0.000000 0.000000 9.619688\nY Cr Se Cl O\n2 6 4 2 16\ndirect\n0.000000 0.731547 0.500000 Y\n0.500000 0.268452 0.000000 Y\n0.250000 0.000000 0.250000 Cr\n0.250000 0.000000 0.750000 Cr\n0.749999 0.000000 0.250000 Cr\n0.500000 0.789738 0.000000 Cr\n0.000000 0.210261 0.500000 Cr\n0.749999 0.000000 0.750000 Cr\n0.000000 0.415986 0.816883 Se\n0.500000 0.584014 0.683117 Se\n0.500000 0.584014 0.316883 Se\n0.000000 0.415986 0.183117 Se\n0.000000 0.852002 0.000000 Cl\n0.500000 0.147998 0.500000 Cl\n0.708557 0.738312 0.659250 O\n0.291442 0.738312 0.659250 O\n0.208558 0.261687 0.159250 O\n0.500000 -0.001450 0.863874 O\n0.000000 0.001450 0.636126 O\n0.791442 0.261687 0.159250 O\n0.708557 0.738312 0.340750 O\n0.000000 0.001450 0.363874 O\n0.791442 0.261687 0.840751 O\n0.208558 0.261687 0.840751 O\n0.291442 0.738312 0.340750 O\n0.500000 0.567459 0.865318 O\n0.000000 0.432540 0.365318 O\n0.500000 0.567459 0.134682 O\n0.500000 -0.001450 0.136126 O\n0.000000 0.432540 0.634683 O\n",
"nsites": 30,
"nelements": 5,
"elements": [
"Y",
"Cr",
"Se",
"Cl",
"O"
],
"chemical_system": "Cl-Cr-O-Se-Y",
"density": 4.296205934333293,
"density_atomic": 0.06853454996463215,
"volume": 437.7354198062402,
"volume_molar": 8.787014379036235,
"formula_full": "Y2 Cr6 Se4 Cl2 O16",
"formula_reduced": "YCr3Se2ClO8",
"formula_anonymous": "ABC2D3E8",
"energy_above_hull": 3.156442430055556,
"spacegroup": 59
},
{
"id": "jvasp-119509",
"created_at": "2022-09-04T14:38:34.508645Z",
"updated_at": "2022-09-04T14:38:34.508675Z",
"structure_string": "Ba2 Cu1 Ag3 Sn2 S8\n1.0\n6.341872 -0.054008 1.089640\n2.205048 5.945294 1.049271\n-0.096324 -0.097562 10.610822\nBa Cu Ag Sn S\n2 1 3 2 8\ndirect\n0.995027 0.000600 0.001222 Ba\n0.506167 0.501041 0.497758 Ba\n0.923149 0.884201 0.414841 Cu\n0.583558 0.593004 0.093141 Ag\n0.092263 0.092918 0.587596 Ag\n0.403874 0.406747 0.906456 Ag\n0.756593 0.750540 0.746893 Sn\n0.241245 0.253619 0.252103 Sn\n0.756987 0.368776 0.765731 S\n0.224231 0.874800 0.276821 S\n0.537283 0.927703 0.936528 S\n0.040627 0.441138 0.440622 S\n0.626240 0.241596 0.234936 S\n0.139805 0.746636 0.733830 S\n0.065859 0.460504 0.062685 S\n0.607099 0.956174 0.548833 S\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Ba",
"Cu",
"Ag",
"Sn",
"S"
],
"chemical_system": "Ag-Ba-Cu-S-Sn",
"density": 4.769501724735845,
"density_atomic": 0.03976326361564373,
"volume": 402.3814582891846,
"volume_molar": 15.144986131447114,
"formula_full": "Ba2 Cu1 Ag3 Sn2 S8",
"formula_reduced": "Ba2CuAg3(SnS4)2",
"formula_anonymous": "AB2C2D3E8",
"energy_above_hull": 1.0583785981250002,
"spacegroup": 1
},
{
"id": "jvasp-36866",
"created_at": "2022-09-04T14:38:13.908691Z",
"updated_at": "2022-09-04T14:38:13.908720Z",
"structure_string": "Li4 Fe2 Cu2 P4 O16\n1.0\n0.000000 4.720725 -0.012504\n6.036889 0.000000 0.000000\n0.000000 -0.198125 -10.126371\nLi Fe Cu P O\n4 2 2 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.500001 0.000000 0.500000 Li\n0.500001 0.500000 0.500000 Li\n0.478448 0.750000 0.218232 Fe\n0.521554 0.250000 0.781768 Fe\n0.949813 0.250000 0.283287 Cu\n0.050189 0.750000 0.716712 Cu\n0.576560 0.750000 0.905764 P\n0.084828 0.250000 0.594268 P\n0.915174 0.750000 0.405732 P\n0.423442 0.250000 0.094235 P\n0.702286 0.959701 0.837302 O\n0.702286 0.540299 0.837302 O\n0.229733 0.450500 0.667224 O\n0.229733 0.049500 0.667224 O\n0.760000 0.250000 0.600184 O\n0.801100 0.750000 0.548117 O\n0.198902 0.250000 0.451883 O\n0.748713 0.250000 0.093542 O\n0.770269 0.950500 0.332776 O\n0.770269 0.549500 0.332776 O\n0.297716 0.459701 0.162698 O\n0.297716 0.040299 0.162698 O\n0.251289 0.750000 0.906457 O\n0.711235 0.750000 0.048094 O\n0.240002 0.750000 0.399816 O\n0.288767 0.250000 0.951905 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Fe",
"Cu",
"P",
"O"
],
"chemical_system": "Cu-Fe-Li-O-P",
"density": 3.7194038861580436,
"density_atomic": 0.09701967115580494,
"volume": 288.60126679912673,
"volume_molar": 6.207133757780913,
"formula_full": "Li4 Fe2 Cu2 P4 O16",
"formula_reduced": "Li2FeCu(PO4)2",
"formula_anonymous": "ABC2D2E8",
"energy_above_hull": 2.4716403535714284,
"spacegroup": 11
},
{
"id": "jvasp-108687",
"created_at": "2022-09-04T14:38:16.378376Z",
"updated_at": "2022-09-04T14:38:16.378386Z",
"structure_string": "Ba1 Tm1 Fe1 Cu1 O5\n1.0\n3.870666 0.000000 0.000000\n0.000000 3.870666 0.000000\n-0.000000 -0.000000 7.627672\nBa Tm Fe Cu O\n1 1 1 1 5\ndirect\n0.500000 0.500000 0.730460 Ba\n0.500000 0.500000 0.204011 Tm\n0.000000 0.000000 0.441192 Fe\n0.000000 0.000000 0.002950 Cu\n0.500000 0.000000 0.025372 O\n-0.000000 0.500000 0.025372 O\n0.500000 0.000000 0.387235 O\n-0.000000 0.500000 0.387235 O\n0.000000 0.000000 0.684173 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Ba",
"Tm",
"Fe",
"Cu",
"O"
],
"chemical_system": "Ba-Cu-Fe-O-Tm",
"density": 7.347422700320451,
"density_atomic": 0.07875517567970876,
"volume": 114.27820358883214,
"volume_molar": 7.646660309020937,
"formula_full": "Ba1 Tm1 Fe1 Cu1 O5",
"formula_reduced": "BaTmFeCuO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 1.8647692966666665,
"spacegroup": 99
},
{
"id": "jvasp-21476",
"created_at": "2022-09-04T14:38:28.940451Z",
"updated_at": "2022-09-04T14:38:28.940484Z",
"structure_string": "Rb1 Be2 B1 O3 F2\n1.0\n4.474446 -0.000000 -0.000000\n-2.237222 3.612629 -1.401731\n-0.000000 -0.047962 7.015186\nRb Be B O F\n1 2 1 3 2\ndirect\n0.004746 0.000000 0.000000 Rb\n0.809456 0.609068 0.413591 Be\n0.200387 0.390933 0.586409 Be\n0.504954 0.000000 0.500000 B\n0.813127 0.000000 0.500000 O\n0.196771 0.691780 0.499920 O\n0.504992 0.308221 0.500081 O\n0.730319 0.451063 0.176699 F\n0.279256 0.548938 0.823302 F\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Rb",
"Be",
"B",
"O",
"F"
],
"chemical_system": "B-Be-F-O-Rb",
"density": 2.9408838206241557,
"density_atomic": 0.07957823412775936,
"volume": 113.09625174078248,
"volume_molar": 7.567572749015412,
"formula_full": "Rb1 Be2 B1 O3 F2",
"formula_reduced": "RbBe2BO3F2",
"formula_anonymous": "ABC2D2E3",
"energy_above_hull": 1.5230173164814813,
"spacegroup": 155
},
{
"id": "jvasp-119385",
"created_at": "2022-09-04T14:38:32.091648Z",
"updated_at": "2022-09-04T14:38:32.091684Z",
"structure_string": "Na2 Cr2 C2 S2 O14\n1.0\n6.279620 -0.000000 0.000000\n0.000000 4.803628 -0.058555\n-0.000000 -0.455336 9.038945\nNa Cr C S O\n2 2 2 2 14\ndirect\n0.608119 0.973030 0.888606 Na\n0.108119 0.026969 0.111394 Na\n0.242195 0.259909 0.664656 Cr\n0.742195 0.740090 0.335344 Cr\n0.234763 0.443043 0.917469 C\n0.734763 0.556956 0.082531 C\n0.743777 0.292797 0.578649 S\n0.243777 0.707203 0.421351 S\n0.748077 0.408386 0.199633 O\n0.427856 0.762872 0.325130 O\n0.056652 0.772037 0.328314 O\n0.745716 0.121213 0.438936 O\n0.238597 0.408291 0.458180 O\n0.738597 0.591709 0.541820 O\n0.248077 0.591614 0.800367 O\n0.556652 0.227962 0.671686 O\n0.927856 0.237128 0.674870 O\n0.745299 0.830508 0.122771 O\n0.245299 0.169492 0.877229 O\n0.711099 0.464635 0.952088 O\n0.245716 0.878787 0.561064 O\n0.211099 0.535364 0.047912 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Na",
"Cr",
"C",
"S",
"O"
],
"chemical_system": "C-Cr-Na-O-S",
"density": 2.816081409882046,
"density_atomic": 0.08073632349705469,
"volume": 272.49197197841903,
"volume_molar": 7.4590227782909775,
"formula_full": "Na2 Cr2 C2 S2 O14",
"formula_reduced": "NaCrCSO7",
"formula_anonymous": "ABCDE7",
"energy_above_hull": 3.0269537181818174,
"spacegroup": 4
},
{
"id": "jvasp-108153",
"created_at": "2022-09-04T14:38:18.713082Z",
"updated_at": "2022-09-04T14:38:18.713107Z",
"structure_string": "Ba1 Sr1 La1 Bi1 O6\n1.0\n5.425472 -0.000000 3.132397\n1.808491 5.115184 3.132397\n-0.000000 -0.000000 6.264795\nBa Sr La Bi O\n1 1 1 1 6\ndirect\n0.750000 0.749999 0.750000 Ba\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Bi\n0.761110 0.761110 0.238890 O\n0.238890 0.761110 0.238890 O\n0.761110 0.238889 0.238890 O\n0.238889 0.238889 0.761110 O\n0.761110 0.238889 0.761110 O\n0.238890 0.761110 0.761111 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"La",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-La-O-Sr",
"density": 6.387908946094525,
"density_atomic": 0.05751675139567158,
"volume": 173.86239238735152,
"volume_molar": 10.470237998269832,
"formula_full": "Ba1 Sr1 La1 Bi1 O6",
"formula_reduced": "BaSrLaBiO6",
"formula_anonymous": "ABCDE6",
"energy_above_hull": 1.717339258,
"spacegroup": 216
}
]
}