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=-nelements&page=244",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=242",
"results": [
{
"id": "jvasp-40686",
"created_at": "2022-09-04T14:38:00.856572Z",
"updated_at": "2022-09-04T14:38:00.856603Z",
"structure_string": "Li4 Fe4 Si4 O16\n1.0\n4.966677 0.000000 0.000000\n0.000000 6.057352 0.000000\n0.000000 0.000000 11.024893\nLi Fe Si O\n4 4 4 16\ndirect\n0.755735 0.991102 0.167958 Li\n0.255734 0.491102 0.332042 Li\n0.755735 0.508897 0.667958 Li\n0.255734 0.008898 0.832042 Li\n0.255822 0.740829 0.082699 Fe\n0.755822 0.240830 0.417301 Fe\n0.255822 0.759170 0.582699 Fe\n0.755822 0.259170 0.917301 Fe\n0.751305 0.757666 0.913733 Si\n0.251304 0.257666 0.586266 Si\n0.751305 0.742333 0.413733 Si\n0.251304 0.242334 0.086266 Si\n0.832696 0.531787 0.838931 O\n0.858774 0.984406 0.845369 O\n0.358773 0.484406 0.654630 O\n0.332696 0.031787 0.661068 O\n0.920611 0.269797 0.571102 O\n0.882702 0.745962 0.552181 O\n0.382702 0.254038 0.447818 O\n0.920611 0.230202 0.071102 O\n0.832696 0.968212 0.338931 O\n0.858774 0.515594 0.345370 O\n0.358773 0.015594 0.154630 O\n0.332696 0.468213 0.161069 O\n0.420611 0.769797 0.928897 O\n0.882702 0.754037 0.052182 O\n0.420611 0.730202 0.428898 O\n0.382702 0.245962 0.947818 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 3.1013497870302205,
"density_atomic": 0.08441797284908616,
"volume": 331.6829231383647,
"volume_molar": 7.133718752955333,
"formula_full": "Li4 Fe4 Si4 O16",
"formula_reduced": "LiFeSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.442672585714286,
"spacegroup": 33
},
{
"id": "jvasp-52253",
"created_at": "2022-09-04T14:37:58.849168Z",
"updated_at": "2022-09-04T14:37:58.849192Z",
"structure_string": "Li4 Cu2 P2 O8\n1.0\n0.000000 6.145967 -0.036813\n4.943726 0.000000 0.000000\n0.000000 -0.247421 -5.407293\nLi Cu P O\n4 2 2 8\ndirect\n0.003819 0.993617 0.834288 Li\n0.250498 0.494355 0.654217 Li\n0.749502 0.994356 0.345782 Li\n0.996182 0.493616 0.165711 Li\n0.494513 0.516526 0.125949 Cu\n0.505487 0.016526 -0.125949 Cu\n0.238362 0.989614 0.340256 P\n0.761639 0.489614 0.659743 P\n0.036218 0.095294 0.187491 O\n0.232726 0.094450 0.610360 O\n0.241233 0.674704 0.333718 O\n0.453342 0.095407 0.227475 O\n0.546658 0.595407 0.772524 O\n0.758768 0.174704 0.666281 O\n0.767274 0.594450 0.389639 O\n0.963782 0.595294 0.812508 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Cu",
"P",
"O"
],
"chemical_system": "Cu-Li-O-P",
"density": 3.4839443997687014,
"density_atomic": 0.09735907761733525,
"volume": 164.34009433498497,
"volume_molar": 6.185494878730989,
"formula_full": "Li4 Cu2 P2 O8",
"formula_reduced": "Li2CuPO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.71614749375,
"spacegroup": 4
},
{
"id": "jvasp-109841",
"created_at": "2022-09-04T14:37:52.502136Z",
"updated_at": "2022-09-04T14:37:52.502157Z",
"structure_string": "K2 In1 Sb1 I6\n1.0\n7.550840 -0.000000 4.359479\n2.516947 7.119000 4.359479\n-0.000000 -0.000000 8.718959\nK In Sb I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Sb\n0.754583 0.245417 0.245417 I\n0.245417 0.245417 0.754583 I\n0.245417 0.754583 0.754583 I\n0.245417 0.754583 0.245417 I\n0.754583 0.245417 0.754583 I\n0.754583 0.754583 0.245417 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"In",
"Sb",
"I"
],
"chemical_system": "I-In-K-Sb",
"density": 3.8129732811506116,
"density_atomic": 0.02133639799615141,
"volume": 468.6826708896116,
"volume_molar": 28.224730158699955,
"formula_full": "K2 In1 Sb1 I6",
"formula_reduced": "K2InSbI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-40633",
"created_at": "2022-09-04T14:37:45.066019Z",
"updated_at": "2022-09-04T14:37:45.066046Z",
"structure_string": "Sm6 Si2 Ag2 S14\n1.0\n0.000000 10.185276 0.001013\n5.722921 0.000000 0.000000\n0.000000 -5.091724 -8.821236\nSm Si Ag S\n6 2 2 14\ndirect\n0.875111 0.249439 0.640174 Sm\n0.124890 0.749438 0.359827 Sm\n0.359825 0.249434 0.234940 Sm\n0.765060 0.249428 0.124895 Sm\n0.234941 0.749428 0.875105 Sm\n0.640176 0.749434 0.765061 Sm\n0.666670 0.661881 0.333337 Si\n0.333331 0.161881 0.666663 Si\n-0.000014 0.296367 0.000001 Ag\n0.000014 0.796367 -0.000001 Ag\n0.822624 0.765968 0.094244 S\n0.271647 0.765965 0.177391 S\n0.094250 0.265969 0.271639 S\n0.905751 0.765969 0.728362 S\n0.476482 0.013364 0.888258 S\n0.111740 0.013364 0.588225 S\n0.333335 0.531458 0.666660 S\n0.523519 0.513364 0.111743 S\n0.411773 0.013354 0.523513 S\n0.588228 0.513354 0.476488 S\n0.177377 0.265968 0.905756 S\n0.666666 0.031458 0.333341 S\n0.888261 0.513364 0.411776 S\n0.728354 0.265965 0.822610 S\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sm",
"Si",
"Ag",
"S"
],
"chemical_system": "Ag-S-Si-Sm",
"density": 5.241631774124098,
"density_atomic": 0.04667842354443973,
"volume": 514.1561813275686,
"volume_molar": 12.901337069077922,
"formula_full": "Sm6 Si2 Ag2 S14",
"formula_reduced": "Sm3SiAgS7",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 1.96933687375,
"spacegroup": 173
},
{
"id": "jvasp-16888",
"created_at": "2022-09-04T14:37:37.610473Z",
"updated_at": "2022-09-04T14:37:37.610499Z",
"structure_string": "Pr1 Co2 B2 C1\n1.0\n3.507040 0.000000 -1.156516\n-0.381384 3.486241 -1.156516\n-0.074371 -0.082951 5.670140\nPr Co B C\n1 2 2 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.250001 0.750000 0.500000 Co\n0.750000 0.250000 0.499999 Co\n0.649386 0.649385 0.298772 B\n0.350615 0.350614 0.701227 B\n0.500001 0.500000 -0.000001 C\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Pr",
"Co",
"B",
"C"
],
"chemical_system": "B-C-Co-Pr",
"density": 7.072623324632914,
"density_atomic": 0.08739675402444742,
"volume": 68.65243528748934,
"volume_molar": 6.890577146967531,
"formula_full": "Pr1 Co2 B2 C1",
"formula_reduced": "PrCo2B2C",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 4.232502802777778,
"spacegroup": 139
},
{
"id": "jvasp-21770",
"created_at": "2022-09-04T14:37:52.490094Z",
"updated_at": "2022-09-04T14:37:52.490102Z",
"structure_string": "Na4 Li2 Be4 F14\n1.0\n7.600023 0.000000 0.000000\n-0.000000 7.600023 -0.000000\n0.000000 0.000000 4.831777\nNa Li Be F\n4 2 4 14\ndirect\n0.834859 0.665140 0.492705 Na\n0.334859 0.834859 0.507296 Na\n0.665140 0.165141 0.507296 Na\n0.165141 0.334859 0.492705 Na\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Li\n0.858311 0.358312 0.931799 Be\n0.358312 0.141688 0.068202 Be\n0.141688 0.641688 0.931799 Be\n0.641688 0.858311 0.068202 Be\n0.182815 0.083711 0.207304 F\n0.083711 0.817184 0.792697 F\n0.641929 0.858071 0.750831 F\n0.141929 0.641929 0.249170 F\n0.858071 0.358071 0.249170 F\n0.358071 0.141929 0.750831 F\n0.416289 0.317185 0.207304 F\n0.000000 0.500000 0.819548 F\n0.682815 0.416289 0.792697 F\n0.317185 0.583710 0.792697 F\n0.817184 0.916289 0.207304 F\n0.583710 0.682815 0.207304 F\n0.500000 0.000000 0.180452 F\n0.916289 0.182815 0.792697 F\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Na",
"Li",
"Be",
"F"
],
"chemical_system": "Be-F-Li-Na",
"density": 2.4267858259337434,
"density_atomic": 0.08599526642920571,
"volume": 279.0851287117952,
"volume_molar": 7.002874704688119,
"formula_full": "Na4 Li2 Be4 F14",
"formula_reduced": "Na2LiBe2F7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 0.0,
"spacegroup": 113
},
{
"id": "jvasp-108591",
"created_at": "2022-09-04T14:38:00.856547Z",
"updated_at": "2022-09-04T14:38:00.856583Z",
"structure_string": "Rb2 Sc1 Hg1 Br6\n1.0\n6.878010 -0.000000 3.971021\n2.292670 6.484650 3.971021\n-0.000000 -0.000000 7.942042\nRb Sc Hg Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Hg\n0.764476 0.235524 0.235524 Br\n0.235524 0.235524 0.764476 Br\n0.235524 0.764476 0.764476 Br\n0.235524 0.764476 0.235524 Br\n0.764476 0.235524 0.764476 Br\n0.764476 0.764476 0.235523 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Sc",
"Hg",
"Br"
],
"chemical_system": "Br-Hg-Rb-Sc",
"density": 4.199811351869138,
"density_atomic": 0.028230493948721416,
"volume": 354.22688735677997,
"volume_molar": 21.33204176639193,
"formula_full": "Rb2 Sc1 Hg1 Br6",
"formula_reduced": "Rb2ScHgBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-108600",
"created_at": "2022-09-04T14:37:53.473718Z",
"updated_at": "2022-09-04T14:37:53.473748Z",
"structure_string": "Rb2 Na1 Ta1 F6\n1.0\n5.312688 -0.000000 3.067282\n1.770896 5.008851 3.067282\n-0.000000 -0.000000 6.134564\nRb Na Ta F\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500000 0.499999 Na\n0.000000 0.000000 0.000000 Ta\n0.758708 0.241293 0.241292 F\n0.241293 0.241293 0.758706 F\n0.241294 0.758707 0.758706 F\n0.241294 0.758707 0.241292 F\n0.758708 0.241293 0.758706 F\n0.758708 0.758707 0.241292 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Ta",
"F"
],
"chemical_system": "F-Na-Rb-Ta",
"density": 4.972797033860154,
"density_atomic": 0.061258149561978545,
"volume": 163.24358589843462,
"volume_molar": 9.830758524475243,
"formula_full": "Rb2 Na1 Ta1 F6",
"formula_reduced": "Rb2NaTaF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.1000879894999997,
"spacegroup": 225
},
{
"id": "jvasp-57167",
"created_at": "2022-09-04T14:37:34.557462Z",
"updated_at": "2022-09-04T14:37:34.557489Z",
"structure_string": "K2 Au2 S4 O16\n1.0\n6.288834 -0.051392 -2.058065\n-3.128064 5.779057 -0.778082\n0.075186 0.051766 9.151254\nK Au S O\n2 2 4 16\ndirect\n0.219840 0.969840 0.250001 K\n0.780162 0.030162 0.750000 K\n0.000001 0.500001 0.500000 Au\n0.500000 0.500000 0.000000 Au\n0.820846 0.280650 0.137522 S\n0.643129 0.683325 0.362479 S\n0.356872 0.316676 0.637521 S\n0.179156 0.719351 0.862479 S\n0.621365 0.144498 0.177686 O\n0.378637 0.855503 0.822315 O\n0.533188 0.556321 0.677686 O\n0.011658 0.499129 0.281627 O\n0.745534 0.390760 0.004055 O\n0.988344 0.500873 0.718373 O\n0.254467 0.609241 0.995946 O\n0.886707 0.741482 0.495946 O\n0.584280 0.856735 0.417099 O\n0.060366 0.832821 0.917099 O\n0.415721 0.143266 0.582902 O\n0.939636 0.167181 0.082902 O\n0.717502 0.730031 0.218373 O\n0.466814 0.443680 0.322314 O\n0.282500 0.269971 0.781627 O\n0.113294 0.258520 0.504054 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"K",
"Au",
"S",
"O"
],
"chemical_system": "Au-K-O-S",
"density": 4.275544373645325,
"density_atomic": 0.07215841351785145,
"volume": 332.6015474836151,
"volume_molar": 8.345722233083976,
"formula_full": "K2 Au2 S4 O16",
"formula_reduced": "KAu(SO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.1887352975,
"spacegroup": 15
},
{
"id": "jvasp-23802",
"created_at": "2022-09-04T14:37:37.708240Z",
"updated_at": "2022-09-04T14:37:37.708256Z",
"structure_string": "K3 Na1 S2 O8\n1.0\n2.834468 -4.909442 0.000000\n2.834468 4.909442 -0.000000\n0.000000 0.000000 7.285414\nK Na S O\n3 1 2 8\ndirect\n0.333333 0.666667 0.172763 K\n0.000000 0.000000 0.500000 K\n0.666667 0.333333 0.827237 K\n0.000000 0.000000 0.000000 Na\n0.666667 0.333333 0.270121 S\n0.333333 0.666667 0.729879 S\n0.190819 0.809181 0.802424 O\n0.190819 0.381638 0.802424 O\n0.618363 0.809182 0.802424 O\n0.381638 0.190819 0.197576 O\n0.809182 0.618363 0.197576 O\n0.809181 0.190819 0.197576 O\n0.666667 0.333333 0.471269 O\n0.333333 0.666667 0.528731 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"K",
"Na",
"S",
"O"
],
"chemical_system": "K-Na-O-S",
"density": 2.7222943598858467,
"density_atomic": 0.06904625248698612,
"volume": 202.76263368006437,
"volume_molar": 8.72189372064046,
"formula_full": "K3 Na1 S2 O8",
"formula_reduced": "K3Na(SO4)2",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 1.586869357142857,
"spacegroup": 164
},
{
"id": "jvasp-25821",
"created_at": "2022-09-04T14:37:37.709792Z",
"updated_at": "2022-09-04T14:37:37.709815Z",
"structure_string": "Ba12 Bi4 Cl12 O12\n1.0\n7.089871 0.000000 0.000000\n-0.000000 12.163112 0.000000\n0.000000 0.000000 12.084775\nBa Bi Cl O\n12 4 12 12\ndirect\n0.173696 0.068899 0.888523 Ba\n0.847769 0.750000 0.472815 Ba\n0.152231 0.250000 0.527184 Ba\n0.826304 0.931101 0.111477 Ba\n0.326304 0.568899 0.388523 Ba\n0.826304 0.568899 0.111477 Ba\n0.673696 0.431101 0.611476 Ba\n0.326304 0.931101 0.388523 Ba\n0.173696 0.431101 0.888523 Ba\n0.673696 0.068899 0.611476 Ba\n0.652231 0.250000 0.972815 Ba\n0.347769 0.750000 0.027185 Ba\n0.098190 0.250000 0.131818 Bi\n0.598190 0.250000 0.368182 Bi\n0.901810 0.750000 0.868182 Bi\n0.401810 0.750000 0.631818 Bi\n0.387370 0.495623 0.135746 Cl\n0.112630 0.995623 0.635745 Cl\n0.418495 0.250000 0.734062 Cl\n0.887370 0.495623 0.364254 Cl\n0.612630 0.504377 0.864254 Cl\n0.387370 0.004377 0.135746 Cl\n0.581505 0.750000 0.265938 Cl\n0.612630 0.995623 0.864254 Cl\n0.112630 0.504377 0.635745 Cl\n0.081505 0.750000 0.234062 Cl\n0.887370 0.004377 0.364254 Cl\n0.918495 0.250000 0.765938 Cl\n0.429528 0.126981 0.444463 O\n0.570472 0.873019 0.555536 O\n0.929528 0.373019 0.055537 O\n0.788980 0.250000 0.501243 O\n0.288980 0.250000 0.998757 O\n0.570472 0.626981 0.555536 O\n0.929528 0.126981 0.055537 O\n0.429528 0.373019 0.444463 O\n0.070472 0.873019 0.944463 O\n0.211020 0.750000 0.498757 O\n0.711020 0.750000 0.001243 O\n0.070472 0.626981 0.944463 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Ba",
"Bi",
"Cl",
"O"
],
"chemical_system": "Ba-Bi-Cl-O",
"density": 4.94160108463926,
"density_atomic": 0.03838295291993559,
"volume": 1042.1293036895172,
"volume_molar": 15.68962339234765,
"formula_full": "Ba12 Bi4 Cl12 O12",
"formula_reduced": "Ba3Bi(ClO)3",
"formula_anonymous": "AB3C3D3",
"energy_above_hull": 0.67276049125,
"spacegroup": 62
},
{
"id": "jvasp-26409",
"created_at": "2022-09-04T14:37:45.061739Z",
"updated_at": "2022-09-04T14:37:45.061759Z",
"structure_string": "Y1 Bi2 Cl1 O4\n1.0\n3.890023 -0.000000 0.000000\n-0.000000 3.890023 0.000000\n0.000000 -0.000000 8.963313\nY Bi Cl O\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.280554 Bi\n0.500000 0.500000 0.719446 Bi\n0.000000 0.000000 0.500000 Cl\n0.000000 0.500000 0.153889 O\n0.500000 0.000000 0.846111 O\n0.500000 0.000000 0.153889 O\n0.000000 0.500000 0.846111 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Y",
"Bi",
"Cl",
"O"
],
"chemical_system": "Bi-Cl-O-Y",
"density": 7.422942923583275,
"density_atomic": 0.058981672917552595,
"volume": 135.63535254726978,
"volume_molar": 10.21018981339854,
"formula_full": "Y1 Bi2 Cl1 O4",
"formula_reduced": "YBi2ClO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.8257277646875,
"spacegroup": 123
}
]
}