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=4592",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=4590",
"results": [
{
"id": "jvasp-59279",
"created_at": "2022-09-04T14:38:13.310831Z",
"updated_at": "2022-09-04T14:38:13.310859Z",
"structure_string": "Nd1 Ti3 Fe1 Cu3 O12\n1.0\n6.349766 -0.000000 -0.000000\n-2.116589 6.091595 0.000000\n-2.116589 -3.045797 5.275475\nNd Ti Fe Cu O\n1 3 1 3 12\ndirect\n0.000000 0.000000 0.000000 Nd\n-0.000000 0.500000 -0.000000 Ti\n0.500000 0.499999 0.500000 Ti\n-0.000000 -0.000000 0.500000 Ti\n0.500000 0.000000 0.000000 Fe\n-0.000001 0.499999 0.500000 Cu\n0.500000 0.500000 -0.000000 Cu\n0.500000 -0.000000 0.500000 Cu\n0.123881 0.822842 0.298386 O\n0.174504 0.298385 0.475542 O\n0.304746 0.119920 0.823647 O\n0.301037 0.475542 0.177156 O\n0.698963 0.524456 0.822843 O\n0.481099 0.176352 0.296273 O\n0.695254 0.880078 0.176353 O\n0.825495 0.701613 0.524457 O\n0.876119 0.177156 0.701614 O\n0.815175 0.296272 0.119921 O\n0.184824 0.703726 0.880078 O\n0.518900 0.823646 0.703727 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Nd",
"Ti",
"Fe",
"Cu",
"O"
],
"chemical_system": "Cu-Fe-Nd-O-Ti",
"density": 5.910525170103006,
"density_atomic": 0.09801209758630447,
"volume": 204.0564429547997,
"volume_molar": 6.144283112293571,
"formula_full": "Nd1 Ti3 Fe1 Cu3 O12",
"formula_reduced": "NdTi3Fe(CuO4)3",
"formula_anonymous": "ABC3D3E12",
"energy_above_hull": 2.6794337675,
"spacegroup": 148
},
{
"id": "jvasp-44608",
"created_at": "2022-09-04T14:38:29.278986Z",
"updated_at": "2022-09-04T14:38:29.279011Z",
"structure_string": "Li6 Cr2 Si2 B2 O14\n1.0\n0.000000 5.054238 0.047184\n6.243640 0.000000 0.000000\n0.000000 -0.782266 -8.237056\nLi Cr Si B O\n6 2 2 2 14\ndirect\n0.234594 0.750000 0.102463 Li\n0.740214 0.002810 0.246457 Li\n0.740214 0.497190 0.246457 Li\n0.259786 0.502810 0.753544 Li\n0.259786 0.997190 0.753544 Li\n0.765406 0.250000 0.897538 Li\n0.202429 0.250000 0.314326 Cr\n0.797571 0.750000 0.685675 Cr\n0.727209 0.250000 0.572587 Si\n0.272791 0.750000 0.427414 Si\n0.295584 0.250000 0.034770 B\n0.704416 0.750000 0.965231 B\n0.516573 0.750000 0.826456 O\n0.817737 0.051131 0.697160 O\n0.817737 0.448869 0.697160 O\n0.403438 0.250000 0.522474 O\n0.128651 0.750000 0.594056 O\n0.871349 0.250000 0.405945 O\n0.631705 0.750000 0.117142 O\n0.182263 0.551131 0.302841 O\n0.182263 0.948869 0.302841 O\n0.483426 0.250000 0.173545 O\n0.037481 0.250000 0.081352 O\n0.962519 0.750000 0.918649 O\n0.596561 0.750000 0.477527 O\n0.368295 0.250000 0.882859 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Li",
"Cr",
"Si",
"B",
"O"
],
"chemical_system": "B-Cr-Li-O-Si",
"density": 2.860795790455387,
"density_atomic": 0.10011358126675222,
"volume": 259.70502374421216,
"volume_molar": 6.015308496410723,
"formula_full": "Li6 Cr2 Si2 B2 O14",
"formula_reduced": "Li3CrSiBO7",
"formula_anonymous": "ABCD3E7",
"energy_above_hull": 2.7765717756410258,
"spacegroup": 11
},
{
"id": "jvasp-57529",
"created_at": "2022-09-04T14:38:32.398998Z",
"updated_at": "2022-09-04T14:38:32.399024Z",
"structure_string": "K2 Hg4 S2 Cl6 O6\n1.0\n5.753933 0.000000 -1.569377\n0.000000 6.836977 0.000000\n-0.032470 0.000000 11.213694\nK Hg S Cl O\n2 4 2 6 6\ndirect\n0.263670 0.703701 0.527340 K\n0.736329 0.203701 0.472659 K\n0.900366 0.836938 0.800733 Hg\n0.559539 0.732560 0.119078 Hg\n0.099633 0.336938 0.199267 Hg\n0.440461 0.232560 0.880922 Hg\n0.669030 0.654639 0.338061 S\n0.330970 0.154639 0.661939 S\n0.446766 0.751528 0.893531 Cl\n0.962671 0.119319 0.925342 Cl\n0.037328 0.619319 0.074657 Cl\n0.553234 0.251528 0.106468 Cl\n0.844079 0.546177 0.688159 Cl\n0.155921 0.046177 0.311840 Cl\n0.705788 0.833846 0.411575 O\n0.116365 0.035797 0.641871 O\n0.294212 0.333845 0.588425 O\n0.883634 0.535797 0.358129 O\n0.474494 0.535797 0.358129 O\n0.525505 0.035797 0.641870 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"K",
"Hg",
"S",
"Cl",
"O"
],
"chemical_system": "Cl-Hg-K-O-S",
"density": 4.721767935361401,
"density_atomic": 0.04537279155294676,
"volume": 440.7928036929676,
"volume_molar": 13.272581549170495,
"formula_full": "K2 Hg4 S2 Cl6 O6",
"formula_reduced": "KHg2S(ClO)3",
"formula_anonymous": "ABC2D3E3",
"energy_above_hull": 0.5080019902500001,
"spacegroup": 36
},
{
"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-10075",
"created_at": "2022-09-04T14:38:13.525105Z",
"updated_at": "2022-09-04T14:38:13.525146Z",
"structure_string": "Ca2 Mg2 As2 O8 F2\n1.0\n5.474670 -0.007016 -1.337521\n-1.966809 5.109180 -1.337521\n-0.012334 -0.017940 7.115142\nCa Mg As O F\n2 2 2 8 2\ndirect\n0.167708 0.332292 0.250000 Ca\n0.832293 0.667707 0.750000 Ca\n0.500000 -0.000000 -0.000000 Mg\n0.500000 -0.000000 0.500000 Mg\n0.821166 0.678833 0.250000 As\n0.178834 0.321166 0.750000 As\n0.759716 0.381335 0.073932 O\n0.118664 0.740284 0.426068 O\n0.171143 0.099803 0.881166 O\n0.400197 0.328857 0.618833 O\n0.828857 0.900196 0.118833 O\n0.599803 0.671142 0.381167 O\n0.240284 0.618664 0.926068 O\n0.881336 0.259716 0.573932 O\n0.417973 0.082027 0.250000 F\n0.582027 0.917973 0.750000 F\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Ca",
"Mg",
"As",
"O",
"F"
],
"chemical_system": "As-Ca-F-Mg-O",
"density": 3.7163431797545194,
"density_atomic": 0.08054082238741084,
"volume": 198.65702293227298,
"volume_molar": 7.477128469129349,
"formula_full": "Ca2 Mg2 As2 O8 F2",
"formula_reduced": "CaMgAsO4F",
"formula_anonymous": "ABCDE4",
"energy_above_hull": 1.1980019378125,
"spacegroup": 15
},
{
"id": "jvasp-117319",
"created_at": "2022-09-04T14:38:26.604712Z",
"updated_at": "2022-09-04T14:38:26.604733Z",
"structure_string": "Li4 V3 Cr3 Fe2 O16\n1.0\n5.729414 -0.000516 0.018714\n-2.848486 4.970661 -0.037331\n-0.000828 0.036475 9.284559\nLi V Cr Fe O\n4 3 3 2 16\ndirect\n0.331846 0.668164 0.108679 Li\n-0.001849 0.001847 0.004236 Li\n0.002027 0.997801 0.504556 Li\n0.665050 0.335047 0.612974 Li\n0.824097 0.651695 0.288050 V\n0.173017 0.827088 0.788648 V\n0.348248 0.175882 0.288076 V\n0.168425 0.343097 0.787997 Cr\n0.828656 0.171302 0.289118 Cr\n0.656989 0.831650 0.787993 Cr\n0.333897 0.666118 0.514571 Fe\n0.667098 0.332938 0.011414 Fe\n0.829674 0.170376 0.899317 O\n0.835424 0.661763 0.896301 O\n0.666167 0.333771 0.407521 O\n0.521346 0.045259 0.155417 O\n0.954750 0.478661 0.155398 O\n0.171199 0.828772 0.394121 O\n0.043065 0.525454 0.653437 O\n0.476755 0.523330 0.657637 O\n0.176869 0.338310 0.397984 O\n0.001639 0.998366 0.193078 O\n0.000867 0.999254 0.692678 O\n0.330113 0.669951 0.903982 O\n0.520322 0.479715 0.151285 O\n0.661646 0.823067 0.397972 O\n0.474628 0.956992 0.653417 O\n0.338310 0.164646 0.896303 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"V",
"Cr",
"Fe",
"O"
],
"chemical_system": "Cr-Fe-Li-O-V",
"density": 4.4229031596329245,
"density_atomic": 0.10589734422625131,
"volume": 264.4070085476135,
"volume_molar": 5.686772226443757,
"formula_full": "Li4 V3 Cr3 Fe2 O16",
"formula_reduced": "Li4V3Cr3(FeO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy_above_hull": 3.3898164928571424,
"spacegroup": 8
},
{
"id": "jvasp-34425",
"created_at": "2022-09-04T14:38:29.016792Z",
"updated_at": "2022-09-04T14:38:29.016815Z",
"structure_string": "Ba6 Ru2 Pt1 Cl2 O12\n1.0\n2.926188 -5.068307 -0.000000\n2.926188 5.068307 0.000000\n-0.000000 -0.000000 15.241614\nBa Ru Pt Cl O\n6 2 1 2 12\ndirect\n0.666667 0.333333 0.784769 Ba\n0.333333 0.666667 0.919153 Ba\n0.666667 0.333333 0.366453 Ba\n0.666667 0.333333 0.080847 Ba\n0.333333 0.666667 0.633547 Ba\n0.333333 0.666667 0.215230 Ba\n0.000000 0.000000 0.181667 Ru\n0.000000 0.000000 0.818333 Ru\n0.000000 0.000000 0.000000 Pt\n0.666667 0.333333 0.577354 Cl\n0.333333 0.666667 0.422646 Cl\n0.838769 0.677537 0.243129 O\n0.152420 0.847580 0.086906 O\n0.847580 0.152420 0.913094 O\n0.161231 0.838769 0.756871 O\n0.322464 0.161231 0.243129 O\n0.304840 0.152421 0.913094 O\n0.677537 0.838769 0.756871 O\n0.161231 0.322464 0.756871 O\n0.695160 0.847580 0.086906 O\n0.847580 0.695160 0.913094 O\n0.838769 0.161231 0.243129 O\n0.152421 0.304840 0.086906 O\n",
"nsites": 23,
"nelements": 5,
"elements": [
"Ba",
"Ru",
"Pt",
"Cl",
"O"
],
"chemical_system": "Ba-Cl-O-Pt-Ru",
"density": 5.451069532607391,
"density_atomic": 0.05087468618186977,
"volume": 452.091240774995,
"volume_molar": 11.83720473178292,
"formula_full": "Ba6 Ru2 Pt1 Cl2 O12",
"formula_reduced": "Ba6Ru2Pt(ClO6)2",
"formula_anonymous": "AB2C2D6E12",
"energy_above_hull": 2.079718624130434,
"spacegroup": 164
},
{
"id": "jvasp-25880",
"created_at": "2022-09-04T14:38:19.820781Z",
"updated_at": "2022-09-04T14:38:19.820804Z",
"structure_string": "K2 Na2 Sm2 Nb2 O10\n1.0\n5.721531 -0.000000 0.000000\n0.000000 5.721531 0.000000\n0.000000 -0.000000 8.289694\nK Na Sm Nb O\n2 2 2 2 10\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.000000 K\n0.500000 0.000000 0.242011 Na\n0.000000 0.500000 0.757988 Na\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.500000 Sm\n0.000000 0.500000 0.258192 Nb\n0.500000 0.000000 0.741808 Nb\n0.233196 0.733195 0.331634 O\n0.766804 0.266804 0.331634 O\n0.733195 0.233196 0.668366 O\n0.733195 0.766804 0.668366 O\n0.500000 0.000000 0.967965 O\n0.766804 0.733195 0.331634 O\n0.266804 0.233196 0.668366 O\n0.000000 0.500000 0.032035 O\n0.266804 0.766804 0.668366 O\n0.233196 0.266804 0.331634 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"K",
"Na",
"Sm",
"Nb",
"O"
],
"chemical_system": "K-Na-Nb-O-Sm",
"density": 4.7159922150660964,
"density_atomic": 0.06632992325463846,
"volume": 271.3707346064396,
"volume_molar": 9.079070899692127,
"formula_full": "K2 Na2 Sm2 Nb2 O10",
"formula_reduced": "KNaSmNbO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 1.976909197222222,
"spacegroup": 129
},
{
"id": "jvasp-28948",
"created_at": "2022-09-04T14:38:11.528917Z",
"updated_at": "2022-09-04T14:38:11.528943Z",
"structure_string": "Te2 Mo1 W3 Se4 S2\n1.0\n3.347798 0.000000 -0.000000\n-1.673900 2.899265 -0.000001\n-0.000000 -0.000005 37.898862\nTe Mo W Se S\n2 1 3 4 2\ndirect\n0.333351 0.666705 0.707753 Te\n0.333353 0.666707 0.607182 Te\n0.333311 0.666621 0.093929 Mo\n0.333311 0.666623 0.469646 W\n0.666686 0.333372 0.281815 W\n0.666689 0.333377 0.657553 W\n0.333352 0.666704 0.325961 Se\n0.666648 0.333294 0.050121 Se\n0.666646 0.333291 0.137856 Se\n0.333351 0.666703 0.237637 Se\n0.666648 0.333293 0.429470 S\n0.666647 0.333291 0.509824 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.789981328952611,
"density_atomic": 0.03262179980768341,
"volume": 367.8521746422354,
"volume_molar": 18.460479788063704,
"formula_full": "Te2 Mo1 W3 Se4 S2",
"formula_reduced": "Te2MoW3(Se2S)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 4.124586241666667,
"spacegroup": 156
},
{
"id": "jvasp-27283",
"created_at": "2022-09-04T14:38:31.878639Z",
"updated_at": "2022-09-04T14:38:31.878666Z",
"structure_string": "Ta4 Hg6 S2 O8 F20\n1.0\n8.919697 -0.114385 -2.032008\n-5.216729 7.236008 -2.032008\n0.055730 0.107181 10.197432\nTa Hg S O F\n4 6 2 8 20\ndirect\n0.374590 0.755384 0.109353 Ta\n0.646031 0.265236 0.890646 Ta\n0.505384 0.624589 0.609353 Ta\n0.015237 0.896031 0.390647 Ta\n0.565122 0.294172 0.299821 Hg\n0.989648 0.989648 -0.000001 Hg\n0.044172 0.815122 0.799821 Hg\n0.015300 0.244351 0.200178 Hg\n0.739648 0.239648 0.500000 Hg\n-0.005649 0.265300 0.700178 Hg\n0.150218 0.650218 0.500000 S\n0.400218 0.400218 -0.000000 S\n0.154233 0.778963 0.428368 O\n0.071452 0.652244 0.609698 O\n0.042544 0.461752 0.390301 O\n0.475865 0.600594 0.071631 O\n0.528963 0.404233 0.928368 O\n0.350594 0.725864 0.571631 O\n0.211752 0.292544 0.890301 O\n0.402244 0.321452 0.109699 O\n0.804004 0.678419 0.389675 F\n0.891307 0.009421 0.369151 F\n0.640271 0.522157 0.630848 F\n0.759421 0.141307 0.869151 F\n0.272157 0.890271 0.130848 F\n0.234783 0.095292 0.386448 F\n0.708844 0.848335 0.613551 F\n0.251754 0.660954 0.900101 F\n0.760853 0.351652 0.099898 F\n0.410955 0.501754 0.400101 F\n0.101652 0.010853 0.599898 F\n0.490653 0.838517 0.316713 F\n0.521802 0.173939 0.683286 F\n0.588517 0.740652 0.816713 F\n0.923939 0.771802 0.183286 F\n0.164329 0.538744 0.110324 F\n0.428419 0.054004 0.889675 F\n0.288744 0.414328 0.610324 F\n0.845292 0.484782 0.886447 F\n0.598335 0.958844 0.113552 F\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ta",
"Hg",
"S",
"O",
"F"
],
"chemical_system": "F-Hg-O-S-Ta",
"density": 6.326826784330803,
"density_atomic": 0.060975696034460326,
"volume": 655.9990717841754,
"volume_molar": 9.876296871784122,
"formula_full": "Ta4 Hg6 S2 O8 F20",
"formula_reduced": "Ta2Hg3S(O2F5)2",
"formula_anonymous": "AB2C3D4E10",
"energy_above_hull": 1.0489314512499996,
"spacegroup": 43
},
{
"id": "jvasp-53210",
"created_at": "2022-09-04T14:38:13.522969Z",
"updated_at": "2022-09-04T14:38:13.522985Z",
"structure_string": "Nd2 Ti4 Cd2 O12 F2\n1.0\n6.254675 0.162243 3.692904\n2.184977 6.180049 3.784492\n0.070812 0.162243 7.263158\nNd Ti Cd O F\n2 4 2 12 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.000000 0.500000 -0.000000 Nd\n0.000000 0.500000 0.500000 Ti\n0.500000 0.500000 -0.000000 Ti\n0.500000 -0.000000 0.500000 Ti\n0.500000 0.500000 0.500000 Ti\n-0.000000 -0.000000 0.500000 Cd\n0.500000 -0.000000 -0.000000 Cd\n0.824372 0.819970 0.419315 O\n0.832659 0.417340 0.832660 O\n0.419315 0.819970 0.824373 O\n0.824372 0.436341 0.419316 O\n0.409276 0.840724 0.409275 O\n0.419315 0.436341 0.824373 O\n0.175628 0.563659 0.580685 O\n0.590724 0.159275 0.590725 O\n0.580684 0.180029 0.175628 O\n0.175627 0.180029 0.580685 O\n0.167341 0.582660 0.167340 O\n0.580684 0.563659 0.175627 O\n0.122785 0.127215 0.122785 F\n0.877214 0.872785 0.877215 F\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Nd",
"Ti",
"Cd",
"O",
"F"
],
"chemical_system": "Cd-F-Nd-O-Ti",
"density": 5.663499218583471,
"density_atomic": 0.08027062284711287,
"volume": 274.0728702442264,
"volume_molar": 7.502297286854305,
"formula_full": "Nd2 Ti4 Cd2 O12 F2",
"formula_reduced": "NdTi2CdO6F",
"formula_anonymous": "ABCD2E6",
"energy_above_hull": 2.117915381742424,
"spacegroup": 74
},
{
"id": "jvasp-46827",
"created_at": "2022-09-04T14:38:09.824345Z",
"updated_at": "2022-09-04T14:38:09.824372Z",
"structure_string": "Na6 Cd2 P2 C2 O14\n1.0\n0.000000 5.181994 0.009687\n6.867283 0.000000 0.000000\n0.000000 -0.042858 -9.176255\nNa Cd P C O\n6 2 2 2 14\ndirect\n0.760236 0.250000 0.083227 Na\n0.241568 -0.002531 0.252228 Na\n0.241568 0.502531 0.252228 Na\n0.758431 0.497469 0.747772 Na\n0.758431 0.002531 0.747772 Na\n0.239763 0.750000 0.916773 Na\n0.767814 0.750000 0.370858 Cd\n0.232185 0.250000 0.629141 Cd\n0.297632 0.750000 0.594677 P\n0.702367 0.250000 0.405322 P\n0.736668 0.750000 0.059653 C\n0.263331 0.250000 0.940346 C\n0.468047 0.250000 0.858207 O\n0.202429 0.929155 0.682723 O\n0.202429 0.570844 0.682723 O\n0.599153 0.750000 0.592549 O\n0.798284 0.250000 0.565832 O\n0.201715 0.750000 0.434167 O\n0.289200 0.250000 0.080944 O\n0.797570 0.429156 0.317276 O\n0.797570 0.070844 0.317276 O\n0.531952 0.750000 0.141792 O\n0.965071 0.750000 0.118779 O\n0.034928 0.250000 0.881220 O\n0.400846 0.250000 0.407450 O\n0.710799 0.750000 0.919055 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Na",
"Cd",
"P",
"C",
"O"
],
"chemical_system": "C-Cd-Na-O-P",
"density": 3.420902055343902,
"density_atomic": 0.07962140103545762,
"volume": 326.5453717452357,
"volume_molar": 7.563469973755139,
"formula_full": "Na6 Cd2 P2 C2 O14",
"formula_reduced": "Na3CdPCO7",
"formula_anonymous": "ABCD3E7",
"energy_above_hull": 1.911464365384617,
"spacegroup": 11
}
]
}