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=-nsites&page=595",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=593",
"results": [
{
"id": "jvasp-120656",
"created_at": "2022-09-04T14:38:48.162052Z",
"updated_at": "2022-09-04T14:38:48.162081Z",
"structure_string": "Ca1 Nd3 Mn4 O12\n1.0\n7.697486 -0.000000 0.000000\n0.000000 5.426657 0.027736\n-0.000000 -0.035903 5.497381\nCa Nd Mn O\n1 3 4 12\ndirect\n0.500000 0.490026 0.542844 Ca\n0.500000 0.009615 0.043862 Nd\n-0.000000 0.509498 0.457040 Nd\n-0.000000 0.991950 0.956470 Nd\n0.253551 0.000708 0.500754 Mn\n0.746795 0.499857 0.998569 Mn\n0.746450 0.000708 0.500754 Mn\n0.253206 0.499857 0.998569 Mn\n0.285539 0.208815 0.791089 O\n0.708273 0.286879 0.287222 O\n0.714461 0.208815 0.791089 O\n0.291728 0.286879 0.287222 O\n0.210034 0.786893 0.212789 O\n0.500000 0.920140 0.484974 O\n-0.000000 0.075428 0.510334 O\n-0.000000 0.427615 0.015252 O\n0.205431 0.716927 0.715609 O\n0.500000 0.575584 0.977165 O\n0.794569 0.716927 0.715609 O\n0.789966 0.786893 0.212789 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"Nd",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-Nd-O",
"density": 6.396160749530643,
"density_atomic": 0.08709202371263111,
"volume": 229.64215490033865,
"volume_molar": 6.914686906197815,
"formula_full": "Ca1 Nd3 Mn4 O12",
"formula_reduced": "CaNd3Mn4O12",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 3.044712794275862,
"spacegroup": 6
},
{
"id": "jvasp-116938",
"created_at": "2022-09-04T14:38:47.569417Z",
"updated_at": "2022-09-04T14:38:47.569440Z",
"structure_string": "Tb4 Sc4 S12\n1.0\n6.371537 -0.000000 0.000000\n0.000000 7.038723 0.000000\n-0.000000 -0.000000 9.489407\nTb Sc S\n4 4 12\ndirect\n0.540756 0.397520 0.750000 Tb\n0.459244 0.602479 0.250000 Tb\n0.040756 0.102479 0.250000 Tb\n0.959244 0.897520 0.750000 Tb\n-0.000000 0.500000 -0.000000 Sc\n-0.000000 0.500000 0.500000 Sc\n0.500000 0.000000 0.500000 Sc\n0.500000 0.000000 -0.000000 Sc\n0.143160 0.545268 0.750000 S\n0.856840 0.454731 0.250000 S\n0.673658 0.683824 0.930875 S\n0.326343 0.316175 0.430875 S\n0.173658 0.816175 0.430875 S\n0.173658 0.816175 0.069125 S\n0.673658 0.683824 0.569126 S\n0.326343 0.316175 0.069125 S\n0.356840 0.045268 0.750000 S\n0.826343 0.183825 0.569126 S\n0.826343 0.183825 0.930875 S\n0.643161 0.954731 0.250000 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Tb",
"Sc",
"S"
],
"chemical_system": "S-Sc-Tb",
"density": 4.683425026023101,
"density_atomic": 0.04699512811740597,
"volume": 425.57602886058385,
"volume_molar": 12.814393749401294,
"formula_full": "Tb4 Sc4 S12",
"formula_reduced": "TbScS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.63381873,
"spacegroup": 62
},
{
"id": "jvasp-116781",
"created_at": "2022-09-04T14:38:33.609677Z",
"updated_at": "2022-09-04T14:38:33.609704Z",
"structure_string": "Ca4 Cr4 O12\n1.0\n5.277239 0.000020 -0.000012\n-0.000021 5.352970 -0.000028\n0.000007 0.000037 7.483744\nCa Cr O\n4 4 12\ndirect\n0.991643 0.042138 0.249999 Ca\n0.491640 0.457861 0.750000 Ca\n0.508357 0.542143 0.249999 Ca\n0.008361 0.957857 0.750000 Ca\n0.500005 -0.000001 -0.000000 Cr\n-0.000004 0.500001 -0.000001 Cr\n0.000003 0.500004 0.500002 Cr\n0.499997 -0.000005 0.500001 Cr\n0.208867 0.209790 0.962074 O\n0.708866 0.290212 0.037926 O\n0.291135 0.709789 0.962074 O\n0.791136 0.790212 0.037926 O\n0.208865 0.209790 0.537925 O\n0.427386 0.985954 0.249999 O\n0.072615 0.485953 0.249999 O\n0.572617 0.014049 0.749999 O\n0.291134 0.709789 0.537925 O\n0.927384 0.514046 0.750000 O\n0.708865 0.290212 0.462074 O\n0.791134 0.790212 0.462074 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ca",
"Cr",
"O"
],
"chemical_system": "Ca-Cr-O",
"density": 4.4008934391240215,
"density_atomic": 0.09460400011038639,
"volume": 211.407551231063,
"volume_molar": 6.365630156201863,
"formula_full": "Ca4 Cr4 O12",
"formula_reduced": "CaCrO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.9337856639999995,
"spacegroup": 62
},
{
"id": "jvasp-20787",
"created_at": "2022-09-04T14:38:32.719754Z",
"updated_at": "2022-09-04T14:38:32.719790Z",
"structure_string": "U8 C12\n1.0\n6.594844 0.000000 -2.331630\n-3.297422 5.711302 -2.331630\n-0.000000 -0.000000 6.994889\nU C\n8 12\ndirect\n0.097792 0.097792 0.097792 U\n0.000000 0.902208 0.500000 U\n0.500000 0.000000 0.902208 U\n0.000000 0.402208 0.500000 U\n0.500000 0.000000 0.402208 U\n0.402208 0.500000 -0.000000 U\n0.597792 0.597792 0.597792 U\n0.902207 0.500000 -0.000000 U\n0.786218 0.036219 0.750000 C\n0.036219 0.750000 0.786219 C\n0.750000 0.786218 0.036218 C\n0.713781 0.463781 0.250000 C\n0.250000 0.713781 0.463781 C\n0.963781 0.213781 0.750000 C\n0.213781 0.750000 0.963782 C\n0.536218 0.286218 0.250000 C\n0.286218 0.250000 0.536219 C\n0.750000 0.963781 0.213781 C\n0.250000 0.536218 0.286219 C\n0.463781 0.250000 0.713781 C\n",
"nsites": 20,
"nelements": 2,
"elements": [
"U",
"C"
],
"chemical_system": "C-U",
"density": 12.91025548674901,
"density_atomic": 0.07591183967811033,
"volume": 263.4635135284059,
"volume_molar": 7.933071817961122,
"formula_full": "U8 C12",
"formula_reduced": "U2C3",
"formula_anonymous": "A2B3",
"energy_above_hull": 6.353068400000001,
"spacegroup": 220
},
{
"id": "jvasp-117118",
"created_at": "2022-09-04T14:38:47.994439Z",
"updated_at": "2022-09-04T14:38:47.994467Z",
"structure_string": "Ti4 Ge4 S12\n1.0\n3.491169 -0.000000 0.000000\n0.000000 9.029578 0.000000\n-0.000000 -0.000000 13.261621\nTi Ge S\n4 4 12\ndirect\n0.750000 0.346551 0.954294 Ti\n0.750000 0.846551 0.545706 Ti\n0.250000 0.653449 0.045706 Ti\n0.250000 0.153449 0.454294 Ti\n0.250000 0.068069 0.839705 Ge\n0.250000 0.568069 0.660295 Ge\n0.750000 0.931932 0.160295 Ge\n0.750000 0.431932 0.339705 Ge\n0.250000 0.678047 0.487887 S\n0.250000 0.178047 0.012113 S\n0.250000 0.264405 0.286168 S\n0.250000 0.764405 0.213832 S\n0.750000 0.735596 0.713832 S\n0.250000 0.013350 0.609198 S\n0.750000 0.986650 0.390802 S\n0.750000 0.486650 0.109198 S\n0.750000 0.821953 0.987887 S\n0.250000 0.513351 0.890802 S\n0.750000 0.235596 0.786168 S\n0.750000 0.321953 0.512113 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ti",
"Ge",
"S"
],
"chemical_system": "Ge-S-Ti",
"density": 3.4430003723947986,
"density_atomic": 0.047840428068174734,
"volume": 418.0564599359168,
"volume_molar": 12.587974236806959,
"formula_full": "Ti4 Ge4 S12",
"formula_reduced": "TiGeS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.9944208566666668,
"spacegroup": 62
},
{
"id": "jvasp-117124",
"created_at": "2022-09-04T14:38:48.066486Z",
"updated_at": "2022-09-04T14:38:48.066514Z",
"structure_string": "Li6 Mn2 Co2 O10\n1.0\n2.842634 -0.004521 0.019026\n-1.404443 6.064942 -1.180153\n-0.064321 0.010154 9.558238\nLi Mn Co O\n6 2 2 10\ndirect\n0.098079 0.196061 0.304047 Li\n0.909015 0.817604 0.701566 Li\n0.508251 0.016197 0.513670 Li\n0.286954 0.573471 0.891061 Li\n0.699849 0.399844 0.091305 Li\n0.599368 0.198470 0.793240 Li\n0.003101 0.006455 0.995533 Mn\n0.801682 0.603487 0.400945 Mn\n0.199000 0.397610 0.605695 Co\n0.398251 0.796979 0.199120 Co\n0.858534 0.717617 0.064239 O\n0.538605 0.077482 0.140938 O\n0.342277 0.684389 0.536385 O\n0.939691 0.879914 0.336113 O\n0.747538 0.494660 0.731898 O\n0.139964 0.280086 0.958296 O\n0.662499 0.324646 0.459467 O\n0.451259 0.902794 0.868995 O\n0.058214 0.116106 0.645007 O\n0.257867 0.516119 0.262486 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.327331964393376,
"density_atomic": 0.12138269923742546,
"volume": 164.7681269707131,
"volume_molar": 4.961284266895933,
"formula_full": "Li6 Mn2 Co2 O10",
"formula_reduced": "Li3MnCoO5",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 2.404603564137931,
"spacegroup": 8
},
{
"id": "jvasp-116771",
"created_at": "2022-09-04T14:38:45.520195Z",
"updated_at": "2022-09-04T14:38:45.520222Z",
"structure_string": "La2 Mn2 Zn2 Fe2 O12\n1.0\n5.473068 0.000096 -0.000035\n0.000105 5.272940 -0.006828\n-0.000016 0.013985 7.536287\nLa Mn Zn Fe O\n2 2 2 2 12\ndirect\n0.005267 0.991840 0.250022 La\n0.494698 0.492165 0.750022 La\n0.500673 0.000578 0.499889 Mn\n0.999326 0.500503 -0.000109 Mn\n0.503620 0.529284 0.250268 Zn\n0.996382 0.029305 0.750277 Zn\n0.500992 0.000678 0.000433 Fe\n0.999003 0.500569 0.500425 Fe\n0.732278 0.735642 0.444203 O\n0.767680 0.235720 0.944184 O\n0.763259 0.228242 0.555413 O\n0.503004 0.927673 0.745253 O\n0.498102 0.139894 0.254982 O\n0.224048 0.226808 0.944377 O\n0.271168 0.719301 0.055131 O\n0.228865 0.219365 0.555144 O\n0.736758 0.728218 0.055410 O\n0.001901 0.639915 0.754987 O\n0.275916 0.726810 0.444441 O\n0.997052 0.427505 0.245252 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"La",
"Mn",
"Zn",
"Fe",
"O"
],
"chemical_system": "Fe-La-Mn-O-Zn",
"density": 6.27737387149051,
"density_atomic": 0.09195764688058199,
"volume": 217.49142870056684,
"volume_molar": 6.548819988641587,
"formula_full": "La2 Mn2 Zn2 Fe2 O12",
"formula_reduced": "LaMnZnFeO6",
"formula_anonymous": "ABCDE6",
"energy_above_hull": 2.474827914137931,
"spacegroup": 7
},
{
"id": "jvasp-44637",
"created_at": "2022-09-04T14:38:34.029176Z",
"updated_at": "2022-09-04T14:38:34.029202Z",
"structure_string": "Li3 Fe5 O12\n1.0\n4.803514 -0.009052 -0.011927\n-0.057308 5.143337 0.002205\n-0.020870 -0.602501 7.040238\nLi Fe O\n3 5 12\ndirect\n0.500969 0.063640 0.720411 Li\n0.498733 0.060477 0.210070 Li\n0.001362 0.578575 0.213969 Li\n0.512982 0.473673 0.011582 Fe\n0.499334 0.476772 0.499572 Fe\n0.001759 0.606943 0.702640 Fe\n-0.003039 0.993459 0.015826 Fe\n0.990637 0.003706 0.498567 Fe\n0.689862 0.781543 0.077306 O\n0.299584 0.777805 0.588653 O\n0.830594 0.649560 0.462372 O\n0.172623 0.646716 0.936571 O\n0.371520 0.471306 0.263036 O\n0.668056 0.153208 0.451586 O\n0.813148 0.286655 0.086096 O\n0.178442 0.302088 0.593959 O\n0.872736 0.944194 0.760548 O\n0.315015 0.159316 0.953781 O\n0.662248 0.456863 0.760120 O\n0.123421 0.972712 0.263726 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O",
"density": 4.6973858969956,
"density_atomic": 0.11498363178631611,
"volume": 173.93780044422067,
"volume_molar": 5.237389588799437,
"formula_full": "Li3 Fe5 O12",
"formula_reduced": "Li3Fe5O12",
"formula_anonymous": "A3B5C12",
"energy_above_hull": 2.968221975,
"spacegroup": 1
},
{
"id": "jvasp-117090",
"created_at": "2022-09-04T14:38:48.236410Z",
"updated_at": "2022-09-04T14:38:48.236435Z",
"structure_string": "Na8 Fe4 O8\n1.0\n5.665247 -0.461399 -0.077051\n-1.340016 7.767774 -0.127321\n-0.091698 -0.111591 6.028728\nNa Fe O\n8 4 8\ndirect\n0.502076 0.016380 0.249502 Na\n0.013203 0.036492 0.253178 Na\n0.986696 0.963535 0.746837 Na\n0.497783 0.983582 0.750590 Na\n0.896416 0.330821 0.876532 Na\n0.350857 0.312887 0.632459 Na\n0.649283 0.687146 0.367596 Na\n0.103788 0.669180 0.123430 Na\n0.177151 0.638475 0.593807 Fe\n0.822723 0.361472 0.406071 Fe\n0.608008 0.640232 0.864864 Fe\n0.392114 0.359725 0.135241 Fe\n0.808035 0.146378 0.538100 O\n0.293246 0.145015 0.970378 O\n0.706636 0.854988 0.029651 O\n0.191791 0.853614 0.461901 O\n0.739720 0.469720 0.143091 O\n0.221943 0.467691 0.353379 O\n0.778136 0.532293 0.646604 O\n0.260386 0.530368 0.856793 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Fe",
"O"
],
"chemical_system": "Fe-Na-O",
"density": 3.400147619357671,
"density_atomic": 0.07650447147694789,
"volume": 261.42262816659473,
"volume_molar": 7.8716193233418705,
"formula_full": "Na8 Fe4 O8",
"formula_reduced": "Na2FeO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.1827180999999998,
"spacegroup": 2
},
{
"id": "jvasp-22454",
"created_at": "2022-09-04T14:38:32.833433Z",
"updated_at": "2022-09-04T14:38:32.833446Z",
"structure_string": "Tc8 P12\n1.0\n6.418202 -0.001074 0.003797\n-1.605027 6.166440 0.008280\n-1.586482 -1.190190 7.470326\nTc P\n8 12\ndirect\n0.907570 0.415762 0.147017 Tc\n0.092430 0.584239 0.852984 Tc\n0.373891 0.417754 0.138622 Tc\n0.626109 0.582247 0.861379 Tc\n0.532441 0.860067 0.361829 Tc\n0.467559 0.139934 0.638172 Tc\n0.083237 0.868951 0.370519 Tc\n0.916763 0.131050 0.629482 Tc\n0.459865 0.809827 0.034468 P\n0.540135 0.190174 0.965533 P\n0.629728 0.850684 0.678259 P\n0.370272 0.149317 0.321742 P\n0.140284 0.872557 0.683047 P\n0.264050 0.418982 0.641653 P\n0.764659 0.439530 0.616083 P\n0.235341 0.560470 0.383918 P\n0.033493 0.180973 0.957172 P\n0.735950 0.581019 0.358348 P\n0.859716 0.127444 0.316954 P\n0.966507 0.819028 0.042829 P\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Tc",
"P"
],
"chemical_system": "P-Tc",
"density": 6.488763891765317,
"density_atomic": 0.06762438667831497,
"volume": 295.7512959805279,
"volume_molar": 8.905279671735807,
"formula_full": "Tc8 P12",
"formula_reduced": "Tc2P3",
"formula_anonymous": "A2B3",
"energy_above_hull": 4.122815900000001,
"spacegroup": 2
},
{
"id": "jvasp-57737",
"created_at": "2022-09-04T14:38:34.024621Z",
"updated_at": "2022-09-04T14:38:34.024643Z",
"structure_string": "Y4 Al4 O12\n1.0\n5.209214 0.000000 0.000000\n0.000000 5.366213 0.000000\n0.000000 0.000000 7.423053\nY Al O\n4 4 12\ndirect\n0.012464 0.946040 0.750000 Y\n0.512463 0.553959 0.250000 Y\n0.487536 0.446040 0.750000 Y\n0.987535 0.053959 0.250000 Y\n0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.585997 0.022921 0.750000 O\n0.085998 0.477079 0.250000 O\n0.705159 0.294183 0.045267 O\n0.205159 0.205817 0.954733 O\n0.794840 0.794183 0.454733 O\n0.205159 0.205817 0.545267 O\n0.294840 0.705816 0.954733 O\n0.794840 0.794183 0.045267 O\n0.414002 0.977079 0.250000 O\n0.705159 0.294183 0.454733 O\n0.294840 0.705816 0.545267 O\n0.914001 0.522920 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Y",
"Al",
"O"
],
"chemical_system": "Al-O-Y",
"density": 5.245986716061971,
"density_atomic": 0.09638452871301731,
"volume": 207.5021818029482,
"volume_molar": 6.248036734122323,
"formula_full": "Y4 Al4 O12",
"formula_reduced": "YAlO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.7921777500000002,
"spacegroup": 62
},
{
"id": "jvasp-119026",
"created_at": "2022-09-04T14:38:32.746759Z",
"updated_at": "2022-09-04T14:38:32.746787Z",
"structure_string": "Tl2 Bi4 Cl14\n1.0\n6.546115 0.023358 2.113671\n1.924936 8.274065 2.146782\n0.033596 0.093729 10.699076\nTl Bi Cl\n2 4 14\ndirect\n0.082171 0.664766 0.129354 Tl\n0.917830 0.335235 0.870645 Tl\n0.319550 0.126354 0.166837 Bi\n0.680451 0.873647 0.833163 Bi\n0.416857 0.753265 0.534240 Bi\n0.583145 0.246736 0.465759 Bi\n0.306600 0.445049 0.626976 Cl\n0.693402 0.554952 0.373023 Cl\n0.730854 0.653377 0.667912 Cl\n0.269147 0.346624 0.332087 Cl\n0.644170 0.956168 0.349456 Cl\n0.355832 0.043833 0.650543 Cl\n0.091191 0.746148 0.802591 Cl\n0.164528 0.852125 0.366298 Cl\n0.362206 0.370324 0.970272 Cl\n0.908810 0.253853 0.197409 Cl\n0.255962 0.990580 0.985373 Cl\n0.744040 0.009421 0.014627 Cl\n0.835474 0.147876 0.633702 Cl\n0.637796 0.629677 0.029727 Cl\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Tl",
"Bi",
"Cl"
],
"chemical_system": "Bi-Cl-Tl",
"density": 5.006222028933502,
"density_atomic": 0.03463256840055837,
"volume": 577.4910993802455,
"volume_molar": 17.388663440574934,
"formula_full": "Tl2 Bi4 Cl14",
"formula_reduced": "TlBi2Cl7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 0.1702114170833333,
"spacegroup": 2
}
]
}