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=3469",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=3467",
"results": [
{
"id": "jvasp-62610",
"created_at": "2022-09-04T14:36:02.507147Z",
"updated_at": "2022-09-04T14:36:02.507163Z",
"structure_string": "Y4 Fe3 B6\n1.0\n7.309614 -2.648657 -0.084602\n7.309614 2.648657 -0.084602\n6.401915 -0.000000 4.412310\nY Fe B\n4 3 6\ndirect\n0.742330 0.742330 0.742332 Y\n0.257669 0.257669 0.257669 Y\n0.590415 0.590415 0.590417 Y\n0.409583 0.409583 0.409584 Y\n0.000000 0.000000 0.000000 Fe\n0.891364 0.891364 0.891366 Fe\n0.108634 0.108634 0.108635 Fe\n0.832674 0.167324 0.500001 B\n0.167325 0.500000 0.832675 B\n0.499999 0.832674 0.167326 B\n0.167324 0.832674 0.500001 B\n0.832674 0.499999 0.167326 B\n0.500000 0.167325 0.832675 B\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Y",
"Fe",
"B"
],
"chemical_system": "B-Fe-Y",
"density": 5.620768387681973,
"density_atomic": 0.07483324832809587,
"volume": 173.71957372481447,
"volume_molar": 8.047413274907925,
"formula_full": "Y4 Fe3 B6",
"formula_reduced": "Y4(FeB2)3",
"formula_anonymous": "A3B4C6",
"energy_above_hull": 4.584044907692308,
"spacegroup": 166
},
{
"id": "jvasp-85981",
"created_at": "2022-09-04T14:35:53.699546Z",
"updated_at": "2022-09-04T14:35:53.699572Z",
"structure_string": "Ba1 Bi4 Br2 O6\n1.0\n3.996916 0.000000 -0.499196\n-0.062347 3.996430 -0.499196\n0.039139 0.039754 16.564044\nBa Bi Br O\n1 4 2 6\ndirect\n0.500000 0.500000 -0.000000 Ba\n0.085906 0.085906 0.171810 Bi\n0.914095 0.914093 0.828189 Bi\n0.787588 0.787587 0.575176 Bi\n0.212413 0.212412 0.424823 Bi\n0.335775 0.335774 0.671549 Br\n0.664226 0.664225 0.328450 Br\n0.943323 0.443321 0.886644 O\n0.056678 0.556678 0.113356 O\n0.556678 0.056678 0.113356 O\n0.443322 0.943321 0.886644 O\n0.250000 0.750000 0.500000 O\n0.750001 0.250000 0.500000 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Ba",
"Bi",
"Br",
"O"
],
"chemical_system": "Ba-Bi-Br-O",
"density": 7.7089598984057845,
"density_atomic": 0.04910428934201349,
"volume": 264.74265637884383,
"volume_molar": 12.263981091459303,
"formula_full": "Ba1 Bi4 Br2 O6",
"formula_reduced": "BaBi4(BrO3)2",
"formula_anonymous": "AB2C4D6",
"energy_above_hull": 1.5527355676923078,
"spacegroup": 139
},
{
"id": "jvasp-42298",
"created_at": "2022-09-04T14:35:53.604527Z",
"updated_at": "2022-09-04T14:35:53.604556Z",
"structure_string": "Li6 Fe1 O3 F3\n1.0\n4.092048 2.362545 2.480597\n-4.092048 2.362545 2.480597\n0.000000 -4.725090 2.480597\nLi Fe O F\n6 1 3 3\ndirect\n0.999430 0.661452 0.358420 Li\n0.999430 0.358421 0.661451 Li\n0.358421 0.661452 0.999429 Li\n0.661452 0.358421 0.999429 Li\n0.358421 0.999430 0.661451 Li\n0.661452 0.999430 0.358420 Li\n0.928498 0.928498 0.928496 Fe\n0.105761 0.729286 0.729285 O\n0.729286 0.729286 0.105760 O\n0.729286 0.105761 0.729285 O\n0.288452 0.891675 0.288451 F\n0.288452 0.288452 0.891674 F\n0.891675 0.288452 0.288451 F\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 2.3367508766308642,
"density_atomic": 0.09034727934176609,
"volume": 143.8892249408368,
"volume_molar": 6.665547434161708,
"formula_full": "Li6 Fe1 O3 F3",
"formula_reduced": "Li6Fe(OF)3",
"formula_anonymous": "AB3C3D6",
"energy_above_hull": 1.1784043728846156,
"spacegroup": 160
},
{
"id": "jvasp-86095",
"created_at": "2022-09-04T14:35:53.815268Z",
"updated_at": "2022-09-04T14:35:53.815284Z",
"structure_string": "Rb2 Hg2 Pd1 Cl8\n1.0\n6.368219 0.039202 1.932702\n2.754581 5.741780 1.932702\n-0.036506 -0.023132 9.833210\nRb Hg Pd Cl\n2 2 1 8\ndirect\n0.397298 0.397299 0.829108 Rb\n0.602701 0.602701 0.170891 Rb\n0.866065 0.866065 0.400907 Hg\n0.133934 0.133935 0.599093 Hg\n0.000000 0.000000 0.000000 Pd\n0.085096 0.085097 0.305975 Cl\n0.106689 0.623952 0.134375 Cl\n0.647877 0.647877 0.503505 Cl\n0.376047 0.893311 0.865624 Cl\n0.352122 0.352123 0.496495 Cl\n0.623952 0.106689 0.134375 Cl\n0.893310 0.376048 0.865624 Cl\n0.914903 0.914904 0.694024 Cl\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Rb",
"Hg",
"Pd",
"Cl"
],
"chemical_system": "Cl-Hg-Pd-Rb",
"density": 4.44977681544209,
"density_atomic": 0.03620640177073382,
"volume": 359.0525256367258,
"volume_molar": 16.63280653552209,
"formula_full": "Rb2 Hg2 Pd1 Cl8",
"formula_reduced": "Rb2Hg2PdCl8",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 4.615384615429263e-06,
"spacegroup": 12
},
{
"id": "jvasp-86443",
"created_at": "2022-09-04T14:35:54.258057Z",
"updated_at": "2022-09-04T14:35:54.258074Z",
"structure_string": "Cu3 P2 O8\n1.0\n4.861739 0.010026 0.271945\n1.859099 4.804860 1.632725\n0.009538 0.012101 6.240045\nCu P O\n3 2 8\ndirect\n0.727231 0.778555 0.681266 Cu\n0.272770 0.221445 0.318735 Cu\n0.000000 0.000000 0.000000 Cu\n0.640034 0.654068 0.220741 P\n0.359967 0.345933 0.779260 P\n0.623414 0.855680 0.361127 O\n0.376587 0.144321 0.638873 O\n0.772269 0.777021 0.993239 O\n0.227732 0.222979 0.006762 O\n0.668784 0.342106 0.832030 O\n0.841661 0.357686 0.343362 O\n0.158340 0.642315 0.656638 O\n0.331217 0.657895 0.167971 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Cu",
"P",
"O"
],
"chemical_system": "Cu-O-P",
"density": 4.341976125679407,
"density_atomic": 0.08931715847691786,
"volume": 145.54874138052182,
"volume_molar": 6.742423138725686,
"formula_full": "Cu3 P2 O8",
"formula_reduced": "Cu3(PO4)2",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.146436180769231,
"spacegroup": 2
},
{
"id": "jvasp-34414",
"created_at": "2022-09-04T14:38:34.221146Z",
"updated_at": "2022-09-04T14:38:34.221171Z",
"structure_string": "Al1 Mo4 S8\n1.0\n6.010295 0.015965 3.443832\n2.003311 5.666626 3.443832\n0.022514 0.015965 6.926986\nAl Mo S\n1 4 8\ndirect\n0.004152 0.004152 0.004152 Al\n0.401789 0.401789 0.811240 Mo\n0.401798 0.401798 0.401798 Mo\n0.811239 0.401790 0.401789 Mo\n0.401789 0.811240 0.401789 Mo\n0.638126 0.638126 0.638126 S\n0.102229 0.638131 0.638131 S\n0.638131 0.102230 0.638131 S\n0.138447 0.601282 0.138447 S\n0.138441 0.138441 0.138441 S\n0.138447 0.138447 0.601282 S\n0.601281 0.138448 0.138447 S\n0.638131 0.638132 0.102229 S\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Al",
"Mo",
"S"
],
"chemical_system": "Al-Mo-S",
"density": 4.714150816868321,
"density_atomic": 0.055309742276098514,
"volume": 235.0399670117032,
"volume_molar": 10.888028965924873,
"formula_full": "Al1 Mo4 S8",
"formula_reduced": "Al(MoS2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 3.7815343384615385,
"spacegroup": 216
},
{
"id": "jvasp-54927",
"created_at": "2022-09-04T14:38:34.546940Z",
"updated_at": "2022-09-04T14:38:34.546949Z",
"structure_string": "Pr3 Al4 Si6\n1.0\n2.112959 -3.659752 0.000000\n2.112959 3.659752 -0.000000\n-0.000000 0.000000 18.126949\nPr Al Si\n3 4 6\ndirect\n0.000000 0.000000 0.612298 Pr\n0.000000 0.000000 0.000000 Pr\n0.000000 0.000000 0.387702 Pr\n0.333333 0.666667 0.754675 Al\n0.666667 0.333333 0.861079 Al\n0.333333 0.666667 0.138921 Al\n0.666667 0.333333 0.245325 Al\n0.333333 0.666667 0.896382 Si\n0.666667 0.333333 0.496351 Si\n0.333333 0.666667 0.503649 Si\n0.333333 0.666667 0.280185 Si\n0.666667 0.333333 0.103618 Si\n0.666667 0.333333 0.719816 Si\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Pr",
"Al",
"Si"
],
"chemical_system": "Al-Pr-Si",
"density": 4.141231825886056,
"density_atomic": 0.046370941838856435,
"volume": 280.3479826908902,
"volume_molar": 12.98688471958911,
"formula_full": "Pr3 Al4 Si6",
"formula_reduced": "Pr3(Al2Si3)2",
"formula_anonymous": "A3B4C6",
"energy_above_hull": 2.859056334615385,
"spacegroup": 164
},
{
"id": "jvasp-58471",
"created_at": "2022-09-04T14:38:33.681018Z",
"updated_at": "2022-09-04T14:38:33.681041Z",
"structure_string": "Ca1 Mn4 O8\n1.0\n5.105241 0.003520 3.925140\n1.935321 4.724197 3.925140\n0.005244 0.003520 6.439735\nCa Mn O\n1 4 8\ndirect\n0.499999 0.500001 0.500000 Ca\n0.500000 1.000000 0.500002 Mn\n0.999998 0.500000 0.500002 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.769692 0.273427 0.769693 O\n0.230306 0.230308 0.726574 O\n0.230306 0.726575 0.230307 O\n0.726572 0.230308 0.230308 O\n0.273701 0.273702 0.273701 O\n0.726298 0.726299 0.726300 O\n0.273427 0.769694 0.769693 O\n0.769693 0.769694 0.273427 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-O",
"density": 4.151358378184951,
"density_atomic": 0.08380081741802702,
"volume": 155.12975172010044,
"volume_molar": 7.186255391709977,
"formula_full": "Ca1 Mn4 O8",
"formula_reduced": "CaMn4O8",
"formula_anonymous": "AB4C8",
"energy_above_hull": 3.2243997988859414,
"spacegroup": 166
},
{
"id": "jvasp-44791",
"created_at": "2022-09-04T14:38:34.251596Z",
"updated_at": "2022-09-04T14:38:34.251619Z",
"structure_string": "Sc6 N2 O5\n1.0\n5.441307 0.000001 -0.004168\n-0.916799 5.368191 -0.000763\n-0.935271 -1.101370 5.254194\nSc N O\n6 2 5\ndirect\n0.153214 0.573077 0.275377 Sc\n0.718823 0.852926 0.432134 Sc\n0.434069 0.726442 0.859654 Sc\n0.562900 0.270465 0.148144 Sc\n0.277608 0.141941 0.556530 Sc\n0.853089 0.436071 0.724346 Sc\n0.373835 0.921963 0.223522 N\n0.501541 0.499377 0.500978 N\n0.076986 0.772707 0.624784 O\n0.776161 0.623066 0.076826 O\n0.223197 0.375874 0.919954 O\n0.921159 0.225755 0.379511 O\n0.627418 0.080332 0.778238 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Sc",
"N",
"O"
],
"chemical_system": "N-O-Sc",
"density": 4.087856013245885,
"density_atomic": 0.08472081363989709,
"volume": 153.4451741133655,
"volume_molar": 7.108218749641502,
"formula_full": "Sc6 N2 O5",
"formula_reduced": "Sc6N2O5",
"formula_anonymous": "A2B5C6",
"energy_above_hull": 3.351598115384615,
"spacegroup": 1
},
{
"id": "jvasp-111757",
"created_at": "2022-09-04T14:38:41.221916Z",
"updated_at": "2022-09-04T14:38:41.221942Z",
"structure_string": "Yb4 Sc4 Sb4 O1\n1.0\n4.448349 0.000000 0.000000\n0.000000 4.448349 -0.000000\n0.000000 0.000000 16.033059\nYb Sc Sb O\n4 4 4 1\ndirect\n0.500000 0.500000 0.330625 Yb\n0.000000 0.000000 0.835067 Yb\n0.000000 0.000000 0.164933 Yb\n0.500000 0.500000 0.669375 Yb\n0.500000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Sc\n0.000000 0.500000 0.000000 Sc\n0.500000 0.000000 0.500000 Sc\n0.500000 0.500000 0.131760 Sb\n0.000000 0.000000 0.632468 Sb\n0.000000 0.000000 0.367532 Sb\n0.500000 0.500000 0.868240 Sb\n0.000000 0.000000 0.000000 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Yb",
"Sc",
"Sb",
"O"
],
"chemical_system": "O-Sb-Sc-Yb",
"density": 7.196891886564563,
"density_atomic": 0.04097597118058111,
"volume": 317.25910638478825,
"volume_molar": 14.696761508007766,
"formula_full": "Yb4 Sc4 Sb4 O1",
"formula_reduced": "Yb4Sc4Sb4O",
"formula_anonymous": "AB4C4D4",
"energy_above_hull": 1.4246001307692309,
"spacegroup": 123
},
{
"id": "jvasp-21486",
"created_at": "2022-09-04T14:38:33.454369Z",
"updated_at": "2022-09-04T14:38:33.454386Z",
"structure_string": "K2 Be2 Pb1 F8\n1.0\n5.082974 0.000989 5.547973\n2.157895 4.602185 5.547973\n0.001555 0.000989 7.524401\nK Be Pb F\n2 2 1 8\ndirect\n0.202127 0.202127 0.202127 K\n0.797873 0.797873 0.797873 K\n0.596737 0.596737 0.596737 Be\n0.403263 0.403263 0.403263 Be\n0.000000 0.000000 0.000000 Pb\n0.257121 0.728303 0.728303 F\n0.728303 0.257121 0.728304 F\n0.728304 0.728303 0.257121 F\n0.327383 0.327383 0.327383 F\n0.672617 0.672617 0.672617 F\n0.271697 0.742878 0.271696 F\n0.271696 0.271696 0.742879 F\n0.742878 0.271696 0.271696 F\n",
"nsites": 13,
"nelements": 4,
"elements": [
"K",
"Be",
"Pb",
"F"
],
"chemical_system": "Be-F-K-Pb",
"density": 4.298067577482987,
"density_atomic": 0.07388676600887686,
"volume": 175.9449046455513,
"volume_molar": 8.150499859848368,
"formula_full": "K2 Be2 Pb1 F8",
"formula_reduced": "K2Be2PbF8",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 0.0,
"spacegroup": 166
},
{
"id": "jvasp-56376",
"created_at": "2022-09-04T14:38:34.008807Z",
"updated_at": "2022-09-04T14:38:34.008840Z",
"structure_string": "Na2 Ti3 Cl8\n1.0\n6.215075 0.019207 4.779001\n2.364567 5.747725 4.779001\n0.028574 0.019207 7.839973\nNa Ti Cl\n2 3 8\ndirect\n0.827604 0.827604 0.827603 Na\n0.158918 0.158918 0.158918 Na\n0.060635 0.471435 0.471435 Ti\n0.471436 0.471435 0.060635 Ti\n0.471435 0.060636 0.471435 Ti\n0.900928 0.900927 0.401778 Cl\n0.900927 0.401780 0.900926 Cl\n0.587169 0.091003 0.091003 Cl\n0.401779 0.900927 0.900926 Cl\n0.421929 0.421929 0.421929 Cl\n0.091004 0.587168 0.091003 Cl\n0.604671 0.604671 0.604671 Cl\n0.091003 0.091003 0.587168 Cl\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Na",
"Ti",
"Cl"
],
"chemical_system": "Cl-Na-Ti",
"density": 2.820723584645637,
"density_atomic": 0.04666657020694551,
"volume": 278.5720043780971,
"volume_molar": 12.904614016617208,
"formula_full": "Na2 Ti3 Cl8",
"formula_reduced": "Na2Ti3Cl8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 0.899592733846154,
"spacegroup": 160
}
]
}