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=3517",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=3515",
"results": [
{
"id": "jvasp-112952",
"created_at": "2022-09-04T14:38:45.484317Z",
"updated_at": "2022-09-04T14:38:45.484346Z",
"structure_string": "Ba4 Th4 O12\n1.0\n6.377952 -0.000000 0.000000\n0.000000 6.423227 0.000000\n0.000000 -0.000000 9.028432\nBa Th O\n4 4 12\ndirect\n0.509407 0.531333 0.250000 Ba\n0.990593 0.031332 0.250000 Ba\n0.490593 0.468668 0.750000 Ba\n0.009407 0.968668 0.750000 Ba\n-0.000000 0.500000 -0.000000 Th\n0.500000 0.000000 0.500000 Th\n-0.000000 0.500000 0.500000 Th\n0.500000 0.000000 -0.000000 Th\n0.287951 0.712043 0.549327 O\n0.212049 0.212043 0.950672 O\n0.287951 0.712043 0.950672 O\n0.212049 0.212043 0.549327 O\n0.712049 0.287958 0.450672 O\n0.091279 0.471719 0.250000 O\n0.908721 0.528281 0.750000 O\n0.591279 0.028281 0.750000 O\n0.787951 0.787958 0.450672 O\n0.408721 0.971720 0.250000 O\n0.787951 0.787958 0.049328 O\n0.712049 0.287958 0.049328 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ba",
"Th",
"O"
],
"chemical_system": "Ba-O-Th",
"density": 7.495083170961585,
"density_atomic": 0.054073333957373244,
"volume": 369.86807611615507,
"volume_molar": 11.136988085009397,
"formula_full": "Ba4 Th4 O12",
"formula_reduced": "BaThO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.4789544140000002,
"spacegroup": 62
},
{
"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-117110",
"created_at": "2022-09-04T14:38:45.417913Z",
"updated_at": "2022-09-04T14:38:45.417938Z",
"structure_string": "Ca4 Cd4 Pt4\n1.0\n4.272239 -0.000000 0.000000\n0.000000 7.265380 0.000000\n-0.000000 -0.000000 8.647892\nCa Cd Pt\n4 4 4\ndirect\n0.250000 0.037821 0.322498 Ca\n0.250000 0.537821 0.177502 Ca\n0.750000 0.962179 0.677502 Ca\n0.750000 0.462179 0.822498 Ca\n0.250000 0.141621 0.936559 Cd\n0.250000 0.641621 0.563441 Cd\n0.750000 0.858379 0.063441 Cd\n0.750000 0.358379 0.436559 Cd\n0.250000 0.252993 0.629096 Pt\n0.250000 0.752993 0.870904 Pt\n0.750000 0.747007 0.370904 Pt\n0.750000 0.247007 0.129096 Pt\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"Cd",
"Pt"
],
"chemical_system": "Ca-Cd-Pt",
"density": 8.600644357434703,
"density_atomic": 0.04470510450904173,
"volume": 268.42572300827453,
"volume_molar": 13.470812396338333,
"formula_full": "Ca4 Cd4 Pt4",
"formula_reduced": "CaCdPt",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-112887",
"created_at": "2022-09-04T14:38:45.268265Z",
"updated_at": "2022-09-04T14:38:45.268291Z",
"structure_string": "U4 Ru4 S12\n1.0\n5.946726 0.000000 0.000000\n0.000000 6.959930 0.000000\n0.000000 0.000000 8.711068\nU Ru S\n4 4 12\ndirect\n0.430677 0.877616 0.250000 U\n0.069324 0.377616 0.250000 U\n0.569324 0.122384 0.750000 U\n0.930677 0.622384 0.750000 U\n0.500000 0.500000 -0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n0.500000 0.500000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.150723 0.681768 0.057116 S\n0.349277 0.181768 0.442885 S\n0.150723 0.681768 0.442885 S\n0.349277 0.181768 0.057116 S\n0.849278 0.318232 0.942885 S\n0.839734 0.050747 0.250000 S\n0.160266 0.949253 0.750000 S\n0.339734 0.449253 0.750000 S\n0.650723 0.818232 0.942885 S\n0.660267 0.550747 0.250000 S\n0.650723 0.818232 0.557116 S\n0.849278 0.318232 0.557116 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"U",
"Ru",
"S"
],
"chemical_system": "Ru-S-U",
"density": 8.019318746400792,
"density_atomic": 0.05547225127365266,
"volume": 360.5406223976218,
"volume_molar": 10.856131888882436,
"formula_full": "U4 Ru4 S12",
"formula_reduced": "URuS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 3.2126973000000008,
"spacegroup": 62
},
{
"id": "jvasp-112985",
"created_at": "2022-09-04T14:38:45.251639Z",
"updated_at": "2022-09-04T14:38:45.251664Z",
"structure_string": "K8 Mo4 S12 O4\n1.0\n7.018768 -0.000000 0.000000\n0.000000 9.053790 0.000000\n-0.000000 -0.000000 11.190742\nK Mo S O\n8 4 12 4\ndirect\n0.250000 0.450473 0.190738 K\n0.250000 0.950473 0.309262 K\n0.750000 0.549527 0.809262 K\n0.750000 0.049527 0.690738 K\n0.250000 0.157774 0.873583 K\n0.250000 0.657774 0.626417 K\n0.750000 0.842226 0.126417 K\n0.750000 0.342226 0.373583 K\n0.750000 0.260353 0.044558 Mo\n0.750000 0.760353 0.455442 Mo\n0.250000 0.239647 0.544557 Mo\n0.250000 0.739647 0.955442 Mo\n0.497108 0.151270 0.122283 S\n0.502892 0.848730 0.877717 S\n-0.002892 0.348730 0.622283 S\n0.002892 0.151270 0.122283 S\n0.497108 0.651270 0.377717 S\n0.002892 0.651270 0.377717 S\n0.250000 0.504799 0.900713 S\n0.502892 0.348730 0.622283 S\n0.750000 0.495201 0.099286 S\n0.750000 0.995201 0.400714 S\n0.250000 0.004799 0.599286 S\n-0.002892 0.848730 0.877717 S\n0.750000 0.744253 0.611294 O\n0.250000 0.255747 0.388706 O\n0.250000 0.755747 0.111294 O\n0.750000 0.244253 0.888706 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"K",
"Mo",
"S",
"O"
],
"chemical_system": "K-Mo-O-S",
"density": 2.6744055891523697,
"density_atomic": 0.03937384648864583,
"volume": 711.1319440957925,
"volume_molar": 15.294773808133263,
"formula_full": "K8 Mo4 S12 O4",
"formula_reduced": "K2MoS3O",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 1.7945250571428573,
"spacegroup": 62
},
{
"id": "jvasp-112870",
"created_at": "2022-09-04T14:38:45.047866Z",
"updated_at": "2022-09-04T14:38:45.047893Z",
"structure_string": "Fe4 O8\n1.0\n2.772543 -0.000000 0.000000\n0.000000 4.376216 0.000000\n-0.000000 -0.000000 9.324964\nFe O\n4 8\ndirect\n0.250000 0.013652 0.135181 Fe\n0.250000 0.486348 0.635180 Fe\n0.749999 -0.013652 0.864819 Fe\n0.749999 0.513652 0.364819 Fe\n0.250000 0.780545 0.960807 O\n0.250000 0.719456 0.460807 O\n0.749999 0.219456 0.039193 O\n0.749999 0.280545 0.539192 O\n0.250000 0.223209 0.789473 O\n0.250000 0.276791 0.289473 O\n0.749999 0.776791 0.210527 O\n0.749999 0.723210 0.710526 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Fe",
"O"
],
"chemical_system": "Fe-O",
"density": 5.156986557510765,
"density_atomic": 0.10606132347697841,
"volume": 113.14209182581726,
"volume_molar": 5.677980023799308,
"formula_full": "Fe4 O8",
"formula_reduced": "FeO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.9843775000000003,
"spacegroup": 62
},
{
"id": "jvasp-116986",
"created_at": "2022-09-04T14:38:44.904515Z",
"updated_at": "2022-09-04T14:38:44.904550Z",
"structure_string": "Er12 Ni4 Ge8\n1.0\n4.128498 -0.000000 0.000000\n0.000000 11.089580 0.000000\n0.000000 -0.000000 11.237167\nEr Ni Ge\n12 4 8\ndirect\n0.250000 0.372134 0.056121 Er\n0.750000 0.942597 0.120333 Er\n0.750000 0.557404 0.620333 Er\n0.250000 0.442597 0.379667 Er\n0.250000 0.801911 0.720948 Er\n0.750000 0.198089 0.279052 Er\n0.250000 0.057404 0.879667 Er\n0.250000 0.698089 0.220948 Er\n0.250000 0.127866 0.556122 Er\n0.750000 0.872134 0.443879 Er\n0.750000 0.627866 0.943879 Er\n0.750000 0.301911 0.779052 Er\n0.750000 0.632226 0.370398 Ni\n0.250000 0.367774 0.629602 Ni\n0.250000 0.132226 0.129602 Ni\n0.750000 0.867774 0.870398 Ni\n0.750000 0.501837 0.190261 Ge\n0.250000 0.687504 0.484951 Ge\n0.750000 0.312496 0.515049 Ge\n0.750000 0.187504 0.015049 Ge\n0.250000 0.812496 0.984951 Ge\n0.250000 0.001837 0.309740 Ge\n0.750000 0.998163 0.690261 Ge\n0.250000 0.498163 0.809740 Ge\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Er",
"Ni",
"Ge"
],
"chemical_system": "Er-Ge-Ni",
"density": 9.111632811018858,
"density_atomic": 0.04664952540758246,
"volume": 514.4746873694671,
"volume_molar": 12.909329103316354,
"formula_full": "Er12 Ni4 Ge8",
"formula_reduced": "Er3NiGe2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.105340716666667,
"spacegroup": 62
},
{
"id": "jvasp-112991",
"created_at": "2022-09-04T14:38:44.676239Z",
"updated_at": "2022-09-04T14:38:44.676255Z",
"structure_string": "Sm12 Rh4\n1.0\n6.383245 -0.000000 0.000000\n0.000000 7.218669 0.000000\n-0.000000 -0.000000 9.716702\nSm Rh\n12 4\ndirect\n0.331565 0.678082 0.063839 Sm\n0.168435 0.178082 0.436161 Sm\n0.668435 0.321919 0.563839 Sm\n0.831564 0.821919 0.936161 Sm\n0.668435 0.321919 0.936161 Sm\n0.831564 0.821919 0.563839 Sm\n0.331565 0.678082 0.436161 Sm\n0.168435 0.178082 0.063839 Sm\n0.857218 0.533789 0.250000 Sm\n0.642781 0.033789 0.250000 Sm\n0.142781 0.466211 0.750000 Sm\n0.357218 0.966211 0.750000 Sm\n0.065506 0.880859 0.250000 Rh\n0.434493 0.380859 0.250000 Rh\n0.934493 0.119142 0.750000 Rh\n0.565506 0.619142 0.750000 Rh\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Sm",
"Rh"
],
"chemical_system": "Rh-Sm",
"density": 8.21845082092955,
"density_atomic": 0.03573571343645558,
"volume": 447.7313718236192,
"volume_molar": 16.851883398685832,
"formula_full": "Sm12 Rh4",
"formula_reduced": "Sm3Rh",
"formula_anonymous": "AB3",
"energy_above_hull": 1.7440874062499998,
"spacegroup": 62
},
{
"id": "jvasp-120436",
"created_at": "2022-09-04T14:38:44.656737Z",
"updated_at": "2022-09-04T14:38:44.656769Z",
"structure_string": "Na4 Cl12\n1.0\n5.662046 0.000000 0.000000\n0.000000 7.893322 0.000000\n-0.000000 -0.000000 8.357668\nNa Cl\n4 12\ndirect\n0.250000 0.040381 0.821529 Na\n0.250000 0.459619 0.321529 Na\n0.750001 0.959619 0.178472 Na\n0.750001 0.540380 0.678472 Na\n0.250000 0.347076 0.640823 Cl\n0.250000 0.152924 0.140823 Cl\n0.750001 0.652924 0.359177 Cl\n0.750001 0.847076 0.859177 Cl\n0.250000 0.783420 0.580568 Cl\n0.250000 0.716580 0.080568 Cl\n0.750001 0.216580 0.419432 Cl\n0.750001 0.283420 0.919432 Cl\n0.250000 0.544077 0.874700 Cl\n0.250000 0.955923 0.374700 Cl\n0.750001 0.455923 0.125300 Cl\n0.750001 0.044077 0.625300 Cl\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Na",
"Cl"
],
"chemical_system": "Cl-Na",
"density": 2.3001335955706486,
"density_atomic": 0.042835284359400504,
"volume": 373.52384230148544,
"volume_molar": 14.058832222222422,
"formula_full": "Na4 Cl12",
"formula_reduced": "NaCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.25060703375,
"spacegroup": 62
},
{
"id": "jvasp-111605",
"created_at": "2022-09-04T14:38:44.613743Z",
"updated_at": "2022-09-04T14:38:44.613775Z",
"structure_string": "U4 Si4 Ru4\n1.0\n4.172617 0.000000 0.000000\n0.000000 6.728342 0.000000\n0.000000 0.000000 7.418473\nU Si Ru\n4 4 4\ndirect\n0.250000 0.345731 0.491498 U\n0.250000 0.154269 0.991498 U\n0.750001 0.654268 0.508501 U\n0.750001 0.845731 0.008502 U\n0.250000 0.884961 0.301867 Si\n0.250000 0.615038 0.801867 Si\n0.750001 0.115039 0.698132 Si\n0.750001 0.384961 0.198133 Si\n0.250000 0.931678 0.631937 Ru\n0.250000 0.568321 0.131937 Ru\n0.750001 0.068321 0.368063 Ru\n0.750001 0.431678 0.868062 Ru\n",
"nsites": 12,
"nelements": 3,
"elements": [
"U",
"Si",
"Ru"
],
"chemical_system": "Ru-Si-U",
"density": 11.71014358912238,
"density_atomic": 0.05761693398519575,
"volume": 208.27210283496365,
"volume_molar": 10.452032663777885,
"formula_full": "U4 Si4 Ru4",
"formula_reduced": "USiRu",
"formula_anonymous": "ABC",
"energy_above_hull": 3.8558117,
"spacegroup": 62
},
{
"id": "jvasp-116955",
"created_at": "2022-09-04T14:38:44.566974Z",
"updated_at": "2022-09-04T14:38:44.567025Z",
"structure_string": "K4 Ge12 As12\n1.0\n3.890139 0.000000 0.000000\n0.000000 9.954508 0.000000\n-0.000000 -0.000000 18.758821\nK Ge As\n4 12 12\ndirect\n0.250000 0.227786 0.543018 K\n0.250000 0.727786 0.956982 K\n0.750000 0.772214 0.456982 K\n0.750000 0.272214 0.043018 K\n0.750000 0.984878 0.869477 Ge\n0.750000 0.484878 0.630523 Ge\n0.250000 0.515122 0.369477 Ge\n0.750000 0.100475 0.744323 Ge\n0.750000 0.600475 0.755677 Ge\n0.250000 0.015122 0.130523 Ge\n0.250000 0.399525 0.244323 Ge\n0.750000 0.177039 0.347010 Ge\n0.750000 0.677039 0.152990 Ge\n0.250000 0.822961 0.652990 Ge\n0.250000 0.322961 0.847010 Ge\n0.250000 0.899525 0.255677 Ge\n0.250000 0.757063 0.779607 As\n0.250000 0.257063 0.720393 As\n0.750000 0.378731 0.422888 As\n0.750000 0.878731 0.077112 As\n0.250000 0.621269 0.577112 As\n0.750000 0.974474 0.627308 As\n0.750000 0.474473 0.872692 As\n0.250000 0.525527 0.127308 As\n0.250000 0.025527 0.372692 As\n0.750000 0.742938 0.279607 As\n0.250000 0.121269 0.922888 As\n0.750000 0.242937 0.220393 As\n",
"nsites": 28,
"nelements": 3,
"elements": [
"K",
"Ge",
"As"
],
"chemical_system": "As-Ge-K",
"density": 4.405246265830475,
"density_atomic": 0.03854495762330466,
"volume": 726.4244592935011,
"volume_molar": 15.623679804901261,
"formula_full": "K4 Ge12 As12",
"formula_reduced": "K(GeAs)3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 1.3397444428571428,
"spacegroup": 62
},
{
"id": "jvasp-112857",
"created_at": "2022-09-04T14:38:44.527660Z",
"updated_at": "2022-09-04T14:38:44.527684Z",
"structure_string": "Li4 Fe4 Si4 O16\n1.0\n4.782543 -0.000000 0.000000\n0.000000 5.863287 0.000000\n-0.000000 -0.000000 10.104084\nLi Fe Si O\n4 4 4 16\ndirect\n0.000000 0.000000 0.500000 Li\n-0.000000 0.500000 0.500000 Li\n0.500000 0.500000 -0.000000 Li\n0.500000 0.000000 -0.000000 Li\n0.989897 0.250000 0.226056 Fe\n0.510102 0.250000 0.726056 Fe\n0.489897 0.750000 0.273944 Fe\n0.010103 0.750000 0.773944 Fe\n0.059501 0.250000 0.906952 Si\n0.440499 0.250000 0.406953 Si\n0.559501 0.750000 0.593047 Si\n0.940498 0.750000 0.093047 Si\n0.216147 0.033589 0.829929 O\n0.216147 0.466411 0.829929 O\n0.283852 0.033589 0.329929 O\n0.283852 0.466411 0.329929 O\n0.278868 0.750000 0.100202 O\n0.810023 0.750000 0.942510 O\n0.189976 0.250000 0.057490 O\n0.778868 0.250000 0.399798 O\n0.783852 0.533590 0.170071 O\n0.783852 0.966411 0.170071 O\n0.716147 0.533590 0.670071 O\n0.716147 0.966411 0.670071 O\n0.221132 0.750000 0.600202 O\n0.310024 0.250000 0.557490 O\n0.721131 0.250000 0.899798 O\n0.689976 0.750000 0.442510 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 3.630587256645536,
"density_atomic": 0.09882368565437621,
"volume": 283.3328853765542,
"volume_molar": 6.0938232774091246,
"formula_full": "Li4 Fe4 Si4 O16",
"formula_reduced": "LiFeSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.4360440142857143,
"spacegroup": 62
}
]
}