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=4363",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4361",
"results": [
{
"id": "jvasp-48136",
"created_at": "2022-09-04T14:36:42.521733Z",
"updated_at": "2022-09-04T14:36:42.521742Z",
"structure_string": "Li1 Cr2 Co1 O6\n1.0\n-2.872549 0.007534 -0.006861\n-0.015418 -5.798051 0.046911\n1.425686 1.483873 5.989293\nLi Cr Co O\n1 2 1 6\ndirect\n0.335634 0.176040 0.671268 Li\n0.011724 0.989431 0.023447 Cr\n0.327481 0.669038 0.654987 Cr\n0.661142 0.338748 0.322280 Co\n0.503727 0.212428 0.007485 O\n0.171250 0.554522 0.342463 O\n0.164770 0.117204 0.329513 O\n0.842554 0.900981 0.685136 O\n0.820772 0.436640 0.641541 O\n0.491552 0.771927 0.983095 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Co",
"O"
],
"chemical_system": "Co-Cr-Li-O",
"density": 4.4192903525953415,
"density_atomic": 0.10010271866673283,
"volume": 99.89738673624359,
"volume_molar": 6.015961244818159,
"formula_full": "Li1 Cr2 Co1 O6",
"formula_reduced": "LiCr2CoO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 3.17424467,
"spacegroup": 8
},
{
"id": "jvasp-7821",
"created_at": "2022-09-04T14:36:43.161210Z",
"updated_at": "2022-09-04T14:36:43.161226Z",
"structure_string": "B4 N4\n1.0\n2.467167 0.000000 -0.473363\n-0.015641 4.376891 -0.081519\n-0.001456 -0.044059 6.658530\nB N\n4 4\ndirect\n-0.000035 0.001524 -0.000071 B\n0.799917 0.570348 0.599834 B\n0.134414 0.622199 0.268827 B\n0.468353 0.500813 0.936706 B\n0.019445 0.657973 0.038890 N\n0.493658 0.156821 0.987317 N\n0.352964 0.552629 0.705930 N\n0.687785 0.609191 0.375569 N\n",
"nsites": 8,
"nelements": 2,
"elements": [
"B",
"N"
],
"chemical_system": "B-N",
"density": 2.292987562572582,
"density_atomic": 0.11128101208019586,
"volume": 71.89007226349374,
"volume_molar": 5.4116516802166394,
"formula_full": "B4 N4",
"formula_reduced": "BN",
"formula_anonymous": "AB",
"energy_above_hull": 2.5820729166666667,
"spacegroup": 8
},
{
"id": "jvasp-104955",
"created_at": "2022-09-04T14:36:43.214005Z",
"updated_at": "2022-09-04T14:36:43.214025Z",
"structure_string": "In2 Ag1 Te3 I1\n1.0\n7.644211 -0.015029 1.202906\n6.328783 4.287271 1.202906\n0.132855 0.040620 7.931263\nIn Ag Te I\n2 1 3 1\ndirect\n0.565725 0.565725 0.822565 In\n0.807614 0.807614 0.061868 In\n0.312359 0.312359 0.531098 Ag\n0.003884 0.003884 0.040072 Te\n0.228906 0.228906 0.248927 Te\n0.758331 0.758331 0.732470 Te\n0.510679 0.510679 0.500501 I\n",
"nsites": 7,
"nelements": 4,
"elements": [
"In",
"Ag",
"Te",
"I"
],
"chemical_system": "Ag-I-In-Te",
"density": 5.412267759064509,
"density_atomic": 0.026930091261945992,
"volume": 259.93227917097573,
"volume_molar": 22.36212533193189,
"formula_full": "In2 Ag1 Te3 I1",
"formula_reduced": "In2AgTe3I",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 0.1470666821428571,
"spacegroup": 8
},
{
"id": "jvasp-102652",
"created_at": "2022-09-04T14:36:44.083999Z",
"updated_at": "2022-09-04T14:36:44.084015Z",
"structure_string": "Zn1 In2 Cu2 S5\n1.0\n10.028769 -0.001727 2.756318\n9.256055 3.860267 2.756318\n0.002125 0.000425 5.521283\nZn In Cu S\n1 2 2 5\ndirect\n0.594793 0.594794 0.407953 Zn\n0.198465 0.198467 0.811103 In\n0.404254 0.404256 0.595487 In\n0.001053 0.001055 0.991214 Cu\n0.801281 0.801282 0.194544 Cu\n0.504682 0.504684 0.768076 S\n0.093227 0.093228 0.168078 S\n0.700698 0.700700 0.522273 S\n0.300900 0.300903 0.973894 S\n0.900639 0.900640 0.317382 S\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Zn",
"In",
"Cu",
"S"
],
"chemical_system": "Cu-In-S-Zn",
"density": 4.5235584850374675,
"density_atomic": 0.04676958486974612,
"volume": 213.81417063782212,
"volume_molar": 12.876190320636237,
"formula_full": "Zn1 In2 Cu2 S5",
"formula_reduced": "ZnIn2Cu2S5",
"formula_anonymous": "AB2C2D5",
"energy_above_hull": 0.665949124,
"spacegroup": 8
},
{
"id": "jvasp-107280",
"created_at": "2022-09-04T14:36:44.104156Z",
"updated_at": "2022-09-04T14:36:44.104174Z",
"structure_string": "Ti1 Fe2 Se4\n1.0\n6.043449 -0.029875 2.901917\n5.048111 3.322762 2.901917\n0.006256 0.001857 6.128285\nTi Fe Se\n1 2 4\ndirect\n0.255092 0.255092 0.691396 Ti\n0.001956 0.001957 0.995854 Fe\n0.741582 0.741580 0.310865 Fe\n0.638399 0.638397 0.034363 Se\n0.360463 0.360462 0.989778 Se\n0.893047 0.893044 0.437302 Se\n0.109465 0.109465 0.540442 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"Se"
],
"chemical_system": "Fe-Se-Ti",
"density": 6.370376038421712,
"density_atomic": 0.056488179032545396,
"volume": 123.91973187818611,
"volume_molar": 10.660886690169944,
"formula_full": "Ti1 Fe2 Se4",
"formula_reduced": "Ti(FeSe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.5650132571428577,
"spacegroup": 8
},
{
"id": "jvasp-101533",
"created_at": "2022-09-04T14:36:44.964892Z",
"updated_at": "2022-09-04T14:36:44.964911Z",
"structure_string": "Li4 C1 O4\n1.0\n4.556531 0.026883 1.412017\n1.066788 4.429972 1.412017\n0.027750 0.021994 4.494881\nLi C O\n4 1 4\ndirect\n0.650966 0.650964 0.537173 Li\n0.134177 0.645530 0.056241 Li\n0.645531 0.134177 0.056241 Li\n0.218715 0.218714 0.737502 Li\n0.046264 0.046263 0.430598 C\n0.224066 0.224065 0.163368 O\n0.831591 0.243044 0.621549 O\n0.243046 0.831590 0.621549 O\n0.903176 0.903174 0.317574 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Li",
"C",
"O"
],
"chemical_system": "C-Li-O",
"density": 1.9078450330529957,
"density_atomic": 0.09964489759939993,
"volume": 90.32073108431996,
"volume_molar": 6.043601734843136,
"formula_full": "Li4 C1 O4",
"formula_reduced": "Li4CO4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 2.2179193333333336,
"spacegroup": 8
},
{
"id": "jvasp-50476",
"created_at": "2022-09-04T14:36:45.029316Z",
"updated_at": "2022-09-04T14:36:45.029343Z",
"structure_string": "Ca2 Ti6 N2 O11\n1.0\n3.760512 -0.008709 0.002924\n-1.861929 7.436821 0.007159\n-0.012383 -1.846772 9.376851\nCa Ti N O\n2 6 2 11\ndirect\n0.550883 0.102997 0.732557 Ca\n0.467694 0.936118 0.195275 Ca\n0.126835 0.254807 0.069120 Ti\n0.158974 0.319046 0.434588 Ti\n0.236338 0.473827 0.748754 Ti\n0.776447 0.554202 0.244607 Ti\n0.835046 0.671495 0.570780 Ti\n0.888549 0.778300 0.893836 Ti\n0.293496 0.588297 0.587140 N\n0.937122 0.875577 0.727796 N\n0.846111 0.693535 0.114741 O\n0.355740 0.712676 0.900191 O\n0.238095 0.477458 0.243953 O\n0.751370 0.503901 0.771107 O\n0.055820 0.112499 0.302418 O\n0.640720 0.282595 0.113205 O\n0.143111 0.287325 0.887560 O\n0.116926 0.234866 0.609613 O\n0.876278 0.754497 0.400196 O\n0.696265 0.393684 0.425689 O\n0.000107 0.001372 0.026753 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Ca",
"Ti",
"N",
"O"
],
"chemical_system": "Ca-N-O-Ti",
"density": 3.6192923149540497,
"density_atomic": 0.08010882773583643,
"volume": 262.143394099446,
"volume_molar": 7.517449612242939,
"formula_full": "Ca2 Ti6 N2 O11",
"formula_reduced": "Ca2Ti6N2O11",
"formula_anonymous": "A2B2C6D11",
"energy_above_hull": 3.415318849523809,
"spacegroup": 8
},
{
"id": "jvasp-43897",
"created_at": "2022-09-04T14:36:45.433173Z",
"updated_at": "2022-09-04T14:36:45.433196Z",
"structure_string": "Mn6 O7 F5\n1.0\n-4.654619 4.654619 3.017916\n-0.049690 4.601389 -3.012349\n-4.601389 0.049690 -3.012349\nMn O F\n6 7 5\ndirect\n0.825030 0.700219 0.700219 Mn\n0.672028 0.339333 0.339333 Mn\n0.314171 0.647047 0.647047 Mn\n0.184768 0.309430 0.309430 Mn\n0.495708 0.997810 0.997810 Mn\n0.001505 0.005523 0.005523 Mn\n0.665602 0.647584 0.036826 O\n0.332185 0.956425 0.351309 O\n0.377637 0.422400 0.422400 O\n0.965469 0.231592 0.231592 O\n0.332185 0.351309 0.956425 O\n0.665602 0.036826 0.647584 O\n0.027676 0.778603 0.778603 O\n-0.000058 0.320913 0.691985 F\n0.300567 0.880734 0.880734 F\n0.637498 0.579947 0.579947 F\n0.702487 0.102321 0.102321 F\n-0.000058 0.691985 0.320913 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.652339159045567,
"density_atomic": 0.09397905809272762,
"volume": 191.53203240491823,
"volume_molar": 6.4079603288405504,
"formula_full": "Mn6 O7 F5",
"formula_reduced": "Mn6O7F5",
"formula_anonymous": "A5B6C7",
"energy_above_hull": 2.78838218670977,
"spacegroup": 8
},
{
"id": "jvasp-100371",
"created_at": "2022-09-04T14:36:45.921829Z",
"updated_at": "2022-09-04T14:36:45.921855Z",
"structure_string": "Mo2 As1 P3\n1.0\n5.941487 -0.008567 0.080822\n5.082486 3.077283 0.080822\n-0.001946 -0.000542 5.122938\nMo As P\n2 1 3\ndirect\n0.091295 0.091295 0.498481 Mo\n0.909648 0.909644 0.008091 Mo\n0.296844 0.296844 0.700985 As\n0.698990 0.698987 0.196313 P\n0.434696 0.434694 0.373274 P\n0.568531 0.568530 0.880854 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Mo",
"As",
"P"
],
"chemical_system": "As-Mo-P",
"density": 6.362093325854882,
"density_atomic": 0.06390489408526809,
"volume": 93.8895226395997,
"volume_molar": 9.42359868708127,
"formula_full": "Mo2 As1 P3",
"formula_reduced": "Mo2AsP3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 4.221570008333333,
"spacegroup": 8
},
{
"id": "jvasp-8640",
"created_at": "2022-09-04T14:36:46.027323Z",
"updated_at": "2022-09-04T14:36:46.027333Z",
"structure_string": "Li1 Mn1 O2\n1.0\n3.147609 -0.179778 0.080248\n-1.728992 2.636366 -0.080314\n0.149179 -0.086056 5.066533\nLi Mn O\n1 1 2\ndirect\n0.676416 0.323574 0.414222 Li\n0.980970 0.018992 0.974823 Mn\n0.369111 0.630869 0.219549 O\n0.640098 0.359859 0.782806 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.855815275651127,
"density_atomic": 0.09893819928462871,
"volume": 40.4292783669194,
"volume_molar": 6.086770128770289,
"formula_full": "Li1 Mn1 O2",
"formula_reduced": "LiMnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.9432235603448276,
"spacegroup": 8
},
{
"id": "jvasp-42176",
"created_at": "2022-09-04T14:36:46.135373Z",
"updated_at": "2022-09-04T14:36:46.135398Z",
"structure_string": "Fe6 O11 F1\n1.0\n-4.372203 4.372203 2.850152\n-0.030299 4.351116 -2.864978\n-4.351116 0.030299 -2.864978\nFe O F\n6 11 1\ndirect\n0.833797 0.665715 0.665715 Fe\n0.668456 0.338119 0.338119 Fe\n0.331714 0.655650 0.655650 Fe\n0.163157 0.331861 0.331861 Fe\n0.513189 0.007631 0.007631 Fe\n0.988248 0.000743 0.000743 Fe\n-0.000217 0.302306 0.695852 O\n0.666092 0.642823 0.028171 O\n0.334581 0.969169 0.361228 O\n0.705486 0.104584 0.104584 O\n0.370099 0.432399 0.432399 O\n0.960870 0.233088 0.233088 O\n0.630034 0.565739 0.565739 O\n-0.000217 0.695852 0.302306 O\n0.334581 0.361228 0.969169 O\n0.666092 0.028171 0.642823 O\n0.035136 0.765945 0.765945 O\n0.298899 0.898982 0.898982 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 5.426412573509714,
"density_atomic": 0.11097105333064355,
"volume": 162.204461972332,
"volume_molar": 5.4267672327636145,
"formula_full": "Fe6 O11 F1",
"formula_reduced": "Fe6O11F",
"formula_anonymous": "AB6C11",
"energy_above_hull": 3.198526210138889,
"spacegroup": 8
},
{
"id": "jvasp-100871",
"created_at": "2022-09-04T14:36:46.963264Z",
"updated_at": "2022-09-04T14:36:46.963284Z",
"structure_string": "Y2 Ag2 Se4\n1.0\n5.127342 -0.007292 -2.172109\n-0.969216 5.194830 -2.305602\n0.077481 -0.067861 7.321007\nY Ag Se\n2 2 4\ndirect\n0.010008 0.001458 0.023787 Y\n0.255102 0.765697 0.513981 Y\n0.485705 0.588543 0.974955 Ag\n0.706316 0.091874 0.416648 Ag\n0.775126 0.720091 0.553997 Se\n0.246593 0.249595 0.497075 Se\n0.492499 0.068589 0.988740 Se\n0.019972 0.524221 0.043604 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Y",
"Ag",
"Se"
],
"chemical_system": "Ag-Se-Y",
"density": 6.044615525918577,
"density_atomic": 0.04105118261751805,
"volume": 194.87867315632718,
"volume_molar": 14.669835010867946,
"formula_full": "Y2 Ag2 Se4",
"formula_reduced": "YAgSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0367898608333332,
"spacegroup": 8
}
]
}