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=volume&page=3501",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=3499",
"results": [
{
"id": "jvasp-110747",
"created_at": "2022-09-04T14:38:37.257608Z",
"updated_at": "2022-09-04T14:38:37.257620Z",
"structure_string": "Ac2 Sc6\n1.0\n6.965694 -0.000000 0.000000\n-3.482846 6.032468 0.000000\n0.000000 -0.000000 5.462874\nAc Sc\n2 6\ndirect\n0.333333 0.666667 0.749999 Ac\n0.666666 0.333333 0.250000 Ac\n0.156123 0.312247 0.250000 Sc\n0.687752 0.843877 0.250000 Sc\n0.156123 0.843877 0.250000 Sc\n0.843876 0.687753 0.749999 Sc\n0.312247 0.156124 0.749999 Sc\n0.843876 0.156124 0.749999 Sc\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ac",
"Sc"
],
"chemical_system": "Ac-Sc",
"density": 5.235381737401217,
"density_atomic": 0.03485052977020196,
"volume": 229.55174721160742,
"volume_molar": 17.279911667652968,
"formula_full": "Ac2 Sc6",
"formula_reduced": "AcSc3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.1631289375,
"spacegroup": 194
},
{
"id": "jvasp-66423",
"created_at": "2022-09-04T14:35:57.553877Z",
"updated_at": "2022-09-04T14:35:57.553903Z",
"structure_string": "Ba4 Ti1 V1\n1.0\n0.000000 4.859895 4.859895\n4.859895 0.000000 4.859895\n4.859895 4.859895 0.000000\nBa Ti V\n4 1 1\ndirect\n0.124450 0.625184 0.625184 Ba\n0.625184 0.625184 0.625184 Ba\n0.625184 0.124450 0.625184 Ba\n0.625184 0.625184 0.124450 Ba\n0.250000 0.250000 0.250000 Ti\n0.000000 0.000000 0.000000 V\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"V"
],
"chemical_system": "Ba-Ti-V",
"density": 4.688042293707827,
"density_atomic": 0.026136088735248857,
"volume": 229.56763197348667,
"volume_molar": 23.041476561403552,
"formula_full": "Ba4 Ti1 V1",
"formula_reduced": "Ba4TiV",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.5761027355555557,
"spacegroup": 216
},
{
"id": "jvasp-21797",
"created_at": "2022-09-04T14:38:15.631801Z",
"updated_at": "2022-09-04T14:38:15.631823Z",
"structure_string": "Er6 Pd4\n1.0\n7.686309 0.000000 -0.000000\n-0.000000 7.686309 0.000000\n0.000000 -0.000000 3.885779\nEr Pd\n6 4\ndirect\n0.835552 0.664448 0.500000 Er\n0.335552 0.835552 0.500000 Er\n0.164448 0.335552 0.500000 Er\n0.664448 0.164448 0.500000 Er\n0.500000 0.500000 0.000000 Er\n0.000000 0.000000 0.000000 Er\n0.134210 0.634210 0.000000 Pd\n0.634210 0.865790 0.000000 Pd\n0.365790 0.134210 0.000000 Pd\n0.865790 0.365790 0.000000 Pd\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Er",
"Pd"
],
"chemical_system": "Er-Pd",
"density": 10.338050760441073,
"density_atomic": 0.04355983476807572,
"volume": 229.56928218949153,
"volume_molar": 13.824985315172789,
"formula_full": "Er6 Pd4",
"formula_reduced": "Er3Pd2",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.4216022799999997,
"spacegroup": 127
},
{
"id": "jvasp-33364",
"created_at": "2022-09-04T14:37:57.624552Z",
"updated_at": "2022-09-04T14:37:57.624572Z",
"structure_string": "H14 S2 N4 O8\n1.0\n5.437647 -0.019383 1.517336\n1.885072 5.040786 1.622585\n0.042706 -0.038338 8.367961\nH S N O\n14 2 4 8\ndirect\n0.799069 0.802247 0.964950 H\n0.075751 0.219730 0.505210 H\n0.182518 0.870145 0.364340 H\n0.817483 0.129856 0.635661 H\n0.183270 0.760723 0.579749 H\n0.816731 0.239278 0.420252 H\n0.232494 0.400093 0.846271 H\n0.924249 0.780271 0.494790 H\n0.340205 0.068970 0.858136 H\n0.659796 0.931031 0.141865 H\n0.007976 0.249233 0.889863 H\n0.992024 0.750767 0.110137 H\n0.200931 0.197754 0.035051 H\n0.767507 0.599908 0.153730 H\n0.588038 0.631051 0.722154 S\n0.411963 0.368950 0.277847 S\n0.192158 0.226277 0.908204 N\n0.807843 0.773724 0.091797 N\n0.066280 0.867298 0.485033 N\n0.933720 0.132703 0.514967 N\n0.656086 0.813905 0.785019 O\n0.683248 0.660952 0.535481 O\n0.316752 0.339049 0.464520 O\n0.706679 0.352630 0.808582 O\n0.293322 0.647371 0.191418 O\n0.295422 0.703376 0.757786 O\n0.704578 0.296625 0.242214 O\n0.343914 0.186095 0.214981 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"H",
"S",
"N",
"O"
],
"chemical_system": "H-N-O-S",
"density": 1.8969980904222215,
"density_atomic": 0.12196593174802287,
"volume": 229.5723043205784,
"volume_molar": 4.93755975434314,
"formula_full": "H14 S2 N4 O8",
"formula_reduced": "H7S(NO2)2",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 3.460808607142857,
"spacegroup": 2
},
{
"id": "jvasp-51728",
"created_at": "2022-09-04T14:37:28.970003Z",
"updated_at": "2022-09-04T14:37:28.970034Z",
"structure_string": "Ca4 Mg3 H14\n1.0\n3.112170 -5.390437 0.000000\n3.112170 5.390437 0.000000\n0.000000 0.000000 6.842828\nCa Mg H\n4 3 14\ndirect\n0.000000 0.000000 0.266422 Ca\n0.000000 0.000000 0.733578 Ca\n0.666667 0.333333 0.500000 Ca\n0.333333 0.666667 0.500000 Ca\n0.557060 0.557060 0.000000 Mg\n-0.000000 0.442940 0.000000 Mg\n0.442940 -0.000000 0.000000 Mg\n0.769441 -0.000000 0.000000 H\n-0.000000 0.769441 0.000000 H\n0.230560 0.230560 0.000000 H\n0.736431 -0.000000 0.500000 H\n-0.000000 0.736431 0.500000 H\n0.263569 0.263569 0.500000 H\n0.611972 0.611972 0.723981 H\n-0.000000 0.388028 0.723981 H\n0.666667 0.333333 0.000000 H\n0.388028 -0.000000 0.276019 H\n-0.000000 0.388028 0.276019 H\n0.611972 0.611972 0.276019 H\n0.388028 -0.000000 0.723981 H\n0.333333 0.666667 0.000000 H\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"H"
],
"chemical_system": "Ca-H-Mg",
"density": 1.788905161112728,
"density_atomic": 0.09146741145600801,
"volume": 229.58996724314343,
"volume_molar": 6.583919522961899,
"formula_full": "Ca4 Mg3 H14",
"formula_reduced": "Ca4Mg3H14",
"formula_anonymous": "A3B4C14",
"energy_above_hull": 1.889603753809524,
"spacegroup": 189
},
{
"id": "jvasp-22533",
"created_at": "2022-09-04T14:37:00.038696Z",
"updated_at": "2022-09-04T14:37:00.038722Z",
"structure_string": "I2 F14\n1.0\n5.262618 0.007976 0.000000\n-1.845554 4.928402 -0.000000\n-0.000000 0.000000 8.847366\nI F\n2 14\ndirect\n0.497013 0.497012 0.500000 I\n0.997013 0.997013 0.000000 I\n0.383209 0.632326 0.329625 F\n0.632327 0.383209 0.670376 F\n0.313456 0.313455 0.000000 F\n0.813456 0.813456 0.500000 F\n0.660366 0.821598 0.899265 F\n0.821598 0.660366 0.100735 F\n0.160366 0.321597 0.600735 F\n0.321598 0.160366 0.399265 F\n0.906129 0.270406 0.895895 F\n0.270406 0.906128 0.104105 F\n0.406129 0.770405 0.604105 F\n0.770406 0.406129 0.395895 F\n0.132327 0.883209 0.829625 F\n0.883209 0.132327 0.170375 F\n",
"nsites": 16,
"nelements": 2,
"elements": [
"I",
"F"
],
"chemical_system": "F-I",
"density": 3.7592896119784336,
"density_atomic": 0.06968697344884135,
"volume": 229.5981473746443,
"volume_molar": 8.641702260783328,
"formula_full": "I2 F14",
"formula_reduced": "IF7",
"formula_anonymous": "AB7",
"energy_above_hull": 1.1249999999990434e-05,
"spacegroup": 41
},
{
"id": "jvasp-118979",
"created_at": "2022-09-04T14:38:48.187806Z",
"updated_at": "2022-09-04T14:38:48.187824Z",
"structure_string": "Sr4 Fe3 Cl1 O8\n1.0\n3.899501 -0.000000 0.000000\n0.000000 3.899501 0.000000\n-0.000000 -0.000000 15.099731\nSr Fe Cl O\n4 3 1 8\ndirect\n0.000000 0.000000 0.618333 Sr\n0.000000 0.000000 0.132273 Sr\n0.000000 0.000000 0.381667 Sr\n0.000000 0.000000 0.867726 Sr\n0.500000 0.500000 0.751189 Fe\n0.500000 0.500000 0.248811 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 0.500000 -0.000000 Cl\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.627480 O\n-0.000000 0.500000 0.775696 O\n0.500000 0.500000 0.372520 O\n0.500000 0.000000 0.224304 O\n-0.000000 0.500000 0.500000 O\n-0.000000 0.500000 0.224304 O\n0.500000 0.000000 0.775696 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Sr",
"Fe",
"Cl",
"O"
],
"chemical_system": "Cl-Fe-O-Sr",
"density": 4.928380416498106,
"density_atomic": 0.06968394031486504,
"volume": 229.60814109684992,
"volume_molar": 8.64207840829482,
"formula_full": "Sr4 Fe3 Cl1 O8",
"formula_reduced": "Sr4Fe3ClO8",
"formula_anonymous": "AB3C4D8",
"energy_above_hull": 1.9948808629687496,
"spacegroup": 123
},
{
"id": "jvasp-59705",
"created_at": "2022-09-04T14:38:33.784550Z",
"updated_at": "2022-09-04T14:38:33.784570Z",
"structure_string": "Tb4 Mn4 Ge4\n1.0\n4.133028 0.000000 0.000000\n-0.000000 7.095945 0.000000\n0.000000 0.000000 7.830024\nTb Mn Ge\n4 4 4\ndirect\n0.250000 0.518160 0.184213 Tb\n0.750000 0.481841 0.815787 Tb\n0.250000 0.018160 0.315787 Tb\n0.750000 0.981841 0.684213 Tb\n0.750000 0.366377 0.443704 Mn\n0.250000 0.133624 0.943704 Mn\n0.750000 0.866377 0.056296 Mn\n0.250000 0.633624 0.556295 Mn\n0.250000 0.277244 0.615151 Ge\n0.750000 0.222756 0.115151 Ge\n0.250000 0.777244 0.884848 Ge\n0.750000 0.722757 0.384849 Ge\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tb",
"Mn",
"Ge"
],
"chemical_system": "Ge-Mn-Tb",
"density": 8.28699696950931,
"density_atomic": 0.052256409295245616,
"volume": 229.63690314427674,
"volume_molar": 11.524214620211009,
"formula_full": "Tb4 Mn4 Ge4",
"formula_reduced": "TbMnGe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.7615971971264364,
"spacegroup": 62
},
{
"id": "jvasp-64033",
"created_at": "2022-09-04T14:36:09.037077Z",
"updated_at": "2022-09-04T14:36:09.037094Z",
"structure_string": "Ba4 Co1 Mo1\n1.0\n-0.000000 4.860409 4.860409\n4.860409 -0.000000 4.860409\n4.860409 4.860409 -0.000000\nBa Co Mo\n4 1 1\ndirect\n0.125382 0.624873 0.624873 Ba\n0.624873 0.624873 0.624873 Ba\n0.624873 0.125382 0.624873 Ba\n0.624873 0.624873 0.125382 Ba\n0.250000 0.250000 0.250000 Co\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Co",
"Mo"
],
"chemical_system": "Ba-Co-Mo",
"density": 5.0919610838544695,
"density_atomic": 0.02612779774842819,
"volume": 229.64047937645077,
"volume_molar": 23.048788183314393,
"formula_full": "Ba4 Co1 Mo1",
"formula_reduced": "Ba4CoMo",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.7807917799999995,
"spacegroup": 216
},
{
"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-109657",
"created_at": "2022-09-04T14:38:18.921693Z",
"updated_at": "2022-09-04T14:38:18.921713Z",
"structure_string": "Zn4 Co1 Se5\n1.0\n6.139794 0.006858 3.281069\n4.819455 3.803941 3.281069\n0.006503 0.002261 9.851163\nZn Co Se\n4 1 5\ndirect\n0.598538 0.598539 0.603747 Zn\n0.202409 0.202410 0.197978 Zn\n0.798454 0.798455 0.801720 Zn\n0.401368 0.401369 0.395494 Zn\n-0.000976 -0.000976 0.000956 Co\n0.800845 0.800846 0.548548 Se\n0.405773 0.405774 0.140787 Se\n0.998251 0.998253 0.758149 Se\n0.601243 0.601244 0.350766 Se\n0.194086 0.194086 0.951856 Se\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Zn",
"Co",
"Se"
],
"chemical_system": "Co-Se-Zn",
"density": 5.1723866687819795,
"density_atomic": 0.04354232865075628,
"volume": 229.66158011914945,
"volume_molar": 13.830543626415356,
"formula_full": "Zn4 Co1 Se5",
"formula_reduced": "Zn4CoSe5",
"formula_anonymous": "AB4C5",
"energy_above_hull": 0.4146889333333333,
"spacegroup": 8
},
{
"id": "jvasp-53187",
"created_at": "2022-09-04T14:38:13.173196Z",
"updated_at": "2022-09-04T14:38:13.173225Z",
"structure_string": "K4 S2 O8\n1.0\n5.759328 -0.081452 -0.054392\n-2.950203 5.109902 0.108783\n0.072266 -0.125168 7.865397\nK S O\n4 2 8\ndirect\n0.382146 0.691073 0.750000 K\n0.000000 0.000000 0.000000 K\n0.000000 -0.000000 0.500000 K\n0.617856 0.308927 0.250000 K\n0.302651 0.651326 0.250000 S\n0.697350 0.348674 0.750000 S\n0.126408 0.769001 0.250001 O\n0.475591 0.737793 0.403910 O\n0.475591 0.737798 0.096090 O\n0.126407 0.357406 0.249999 O\n0.873594 0.642594 0.750002 O\n0.524410 0.262206 0.596090 O\n0.524410 0.262202 0.903911 O\n0.873594 0.230999 0.749999 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"K",
"S",
"O"
],
"chemical_system": "K-O-S",
"density": 2.519900242578648,
"density_atomic": 0.06095882327617533,
"volume": 229.66322588893627,
"volume_molar": 9.879030526420362,
"formula_full": "K4 S2 O8",
"formula_reduced": "K2SO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.2952942857142853,
"spacegroup": 63
}
]
}