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=540",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=538",
"results": [
{
"id": "jvasp-87096",
"created_at": "2022-09-04T14:36:11.138089Z",
"updated_at": "2022-09-04T14:36:11.138115Z",
"structure_string": "Rb4 Mn2 Se4\n1.0\n6.099670 0.000000 -2.577445\n-1.330325 6.374009 -3.148289\n-0.031771 0.054387 8.431142\nRb Mn Se\n4 2 4\ndirect\n0.646992 0.811957 0.293985 Rb\n0.353009 0.188044 0.706016 Rb\n0.853009 0.517974 0.706016 Rb\n0.146992 0.482027 0.293985 Rb\n0.750000 -0.000000 0.000000 Mn\n0.250000 -0.000000 0.000000 Mn\n0.602283 0.291100 0.204566 Se\n0.897717 0.086534 0.795435 Se\n0.102284 0.913466 0.204566 Se\n0.397718 0.708900 0.795434 Se\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Mn",
"Se"
],
"chemical_system": "Mn-Rb-Se",
"density": 3.8800130824263497,
"density_atomic": 0.0304408179310626,
"volume": 328.50628464210024,
"volume_molar": 19.78311086659354,
"formula_full": "Rb4 Mn2 Se4",
"formula_reduced": "Rb2MnSe2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.9042527949425284,
"spacegroup": 72
},
{
"id": "jvasp-10107",
"created_at": "2022-09-04T14:37:57.627772Z",
"updated_at": "2022-09-04T14:37:57.627798Z",
"structure_string": "Tl4 Ge2 S6\n1.0\n6.733409 0.002300 -0.011643\n-2.727040 -6.270253 0.086501\n-3.098460 1.256809 -7.792529\nTl Ge S\n4 2 6\ndirect\n0.260083 0.687986 0.886648 Tl\n0.739917 0.312013 0.113352 Tl\n0.884239 0.057985 0.672185 Tl\n0.115761 0.942015 0.327815 Tl\n0.429637 0.548959 0.313609 Ge\n0.570363 0.451041 0.686391 Ge\n0.516537 0.884042 0.266854 S\n0.483463 0.115957 0.733146 S\n0.763680 0.707370 0.913635 S\n0.235284 0.470689 0.496640 S\n0.764715 0.529310 0.503360 S\n0.236320 0.292630 0.086365 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tl",
"Ge",
"S"
],
"chemical_system": "Ge-S-Tl",
"density": 5.839691267221679,
"density_atomic": 0.036531175971435854,
"volume": 328.486551031999,
"volume_molar": 16.48493540068018,
"formula_full": "Tl4 Ge2 S6",
"formula_reduced": "Tl2GeS3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.8846235250000003,
"spacegroup": 2
},
{
"id": "jvasp-55805",
"created_at": "2022-09-04T14:38:34.560258Z",
"updated_at": "2022-09-04T14:38:34.560284Z",
"structure_string": "Li4 Mn4 As4 O16\n1.0\n4.955989 0.000000 0.000000\n0.000000 6.166788 0.000000\n0.000000 0.000000 10.747710\nLi Mn As O\n4 4 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.014795 0.750000 0.276316 Mn\n0.985205 0.250000 0.723684 Mn\n0.485205 0.750000 0.776316 Mn\n0.514796 0.250000 0.223684 Mn\n0.570565 0.750000 0.089651 As\n0.929436 0.750000 0.589651 As\n0.429435 0.250000 0.910349 As\n0.070565 0.250000 0.410349 As\n0.282767 0.250000 0.056276 O\n0.717233 0.750000 0.943724 O\n0.274322 0.750000 0.592576 O\n0.724182 0.967626 0.164881 O\n0.725679 0.250000 0.407424 O\n0.225679 0.750000 0.092576 O\n0.224182 0.032374 0.335119 O\n0.224182 0.467626 0.335119 O\n0.775819 0.532374 0.664881 O\n0.275819 0.032374 0.835119 O\n0.775819 0.967626 0.664881 O\n0.724182 0.532374 0.164881 O\n0.217233 0.250000 0.556276 O\n0.774322 0.250000 0.907424 O\n0.275819 0.467626 0.835119 O\n0.782767 0.750000 0.443724 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"As",
"O"
],
"chemical_system": "As-Li-Mn-O",
"density": 4.060352228631989,
"density_atomic": 0.08524182502250527,
"volume": 328.47724685161927,
"volume_molar": 7.064772203563279,
"formula_full": "Li4 Mn4 As4 O16",
"formula_reduced": "LiMnAsO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.5176147130541877,
"spacegroup": 62
},
{
"id": "jvasp-101992",
"created_at": "2022-09-04T14:36:50.385757Z",
"updated_at": "2022-09-04T14:36:50.385784Z",
"structure_string": "H18 C22\n1.0\n5.264865 0.023697 1.038434\n2.128992 5.239798 0.681064\n0.167677 0.059453 11.964686\nH C\n18 22\ndirect\n0.590070 0.853537 0.590729 H\n0.176241 0.054255 0.266168 H\n0.823760 0.945745 0.733831 H\n0.221579 0.871924 0.049655 H\n0.778422 0.128077 0.950345 H\n0.742897 0.611813 0.844474 H\n0.838896 0.226543 0.123023 H\n0.161105 0.773457 0.876977 H\n0.802644 0.712728 0.018431 H\n0.257104 0.388187 0.155526 H\n0.757087 0.890737 0.235554 H\n0.242914 0.109263 0.764446 H\n0.789271 0.407547 0.341211 H\n0.210730 0.592453 0.658789 H\n0.887844 0.945576 0.418384 H\n0.112157 0.054425 0.581616 H\n0.409931 0.146463 0.409271 H\n0.197357 0.287273 0.981569 H\n0.328761 0.319615 0.903203 C\n0.671240 0.680386 0.096796 C\n0.308338 0.589418 0.845110 C\n0.691663 0.410583 0.154889 C\n0.348874 0.769311 0.114422 C\n0.369763 0.500005 0.172125 C\n0.651127 0.230690 0.885578 C\n0.645894 0.779339 0.217144 C\n0.630238 0.499995 0.827874 C\n0.354107 0.220661 0.782856 C\n0.170146 0.553008 0.400543 C\n0.333295 0.490140 0.725089 C\n0.342527 0.601712 0.293915 C\n0.657474 0.398289 0.706085 C\n0.937448 0.749377 0.453672 C\n0.062552 0.250623 0.546328 C\n0.230632 0.302788 0.449175 C\n0.769369 0.697212 0.550825 C\n0.676848 0.130030 0.765539 C\n0.829855 0.446993 0.599456 C\n0.666706 0.509860 0.274911 C\n0.323153 0.869970 0.234461 C\n",
"nsites": 40,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.4275164956047368,
"density_atomic": 0.12177571247997343,
"volume": 328.47272403828623,
"volume_molar": 4.945272449947989,
"formula_full": "H18 C22",
"formula_reduced": "H9C11",
"formula_anonymous": "A9B11",
"energy_above_hull": 5.672824,
"spacegroup": 2
},
{
"id": "jvasp-4361",
"created_at": "2022-09-04T14:37:07.522623Z",
"updated_at": "2022-09-04T14:37:07.522646Z",
"structure_string": "As8 O12\n1.0\n0.000000 8.098974 -0.096313\n4.577261 0.000000 0.000000\n0.000000 -6.213702 -8.785930\nAs O\n8 12\ndirect\n0.559442 0.792924 0.877979 As\n0.440557 0.292924 0.622020 As\n0.440557 0.207076 0.122020 As\n0.559442 0.707075 0.377979 As\n0.917777 0.330013 0.804784 As\n0.082223 0.830013 0.695216 As\n0.082223 0.669987 0.195216 As\n0.917777 0.169987 0.304784 As\n0.042551 0.055830 0.213528 O\n0.957449 0.555830 0.286471 O\n0.407208 0.855454 0.182639 O\n0.592791 0.355454 0.317360 O\n0.592791 0.144546 0.817360 O\n0.666001 0.366234 0.627320 O\n0.333998 0.633766 0.372680 O\n0.666001 0.133766 0.127320 O\n0.042551 0.444169 0.713528 O\n0.333998 0.866233 0.872680 O\n0.407209 0.644546 0.682639 O\n0.957449 0.944169 0.786471 O\n",
"nsites": 20,
"nelements": 2,
"elements": [
"As",
"O"
],
"chemical_system": "As-O",
"density": 4.0009720819123995,
"density_atomic": 0.06089326365066472,
"volume": 328.4435551810283,
"volume_molar": 9.8896666050749,
"formula_full": "As8 O12",
"formula_reduced": "As2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.2748968,
"spacegroup": 14
},
{
"id": "jvasp-112378",
"created_at": "2022-09-04T14:38:40.518849Z",
"updated_at": "2022-09-04T14:38:40.518883Z",
"structure_string": "Ba3 La2 Ti2 Nb2 O15\n1.0\n5.709226 0.000000 0.000000\n-2.854613 4.944335 0.000000\n-0.000000 -0.000000 11.635147\nBa La Ti Nb O\n3 2 2 2 15\ndirect\n0.666667 0.333333 0.578321 Ba\n0.333334 0.666666 0.421679 Ba\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.213703 La\n0.333334 0.666666 0.786297 La\n0.666667 0.333333 0.902827 Ti\n0.333334 0.666666 0.097173 Ti\n0.000000 0.000000 0.308252 Nb\n0.000000 0.000000 0.691749 Nb\n0.500000 -0.000000 -0.000000 O\n0.169391 0.830609 0.192880 O\n0.169390 0.338780 0.192880 O\n0.661220 0.830609 0.192880 O\n0.830610 0.169390 0.807121 O\n0.830610 0.661219 0.807121 O\n0.827583 0.172418 0.381550 O\n0.172418 0.827581 0.618450 O\n0.172418 0.344836 0.618450 O\n0.655165 0.827581 0.618450 O\n0.500000 0.500000 -0.000000 O\n0.827583 0.655164 0.381550 O\n0.344836 0.172418 0.381550 O\n0.338781 0.169390 0.807121 O\n0.000000 0.500000 -0.000000 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Ba",
"La",
"Ti",
"Nb",
"O"
],
"chemical_system": "Ba-La-Nb-O-Ti",
"density": 6.124271918146498,
"density_atomic": 0.07307254675189837,
"volume": 328.44072181426327,
"volume_molar": 8.241317742006235,
"formula_full": "Ba3 La2 Ti2 Nb2 O15",
"formula_reduced": "Ba3La2Ti2Nb2O15",
"formula_anonymous": "A2B2C2D3E15",
"energy_above_hull": 2.936079411527777,
"spacegroup": 164
},
{
"id": "jvasp-122058",
"created_at": "2022-09-04T14:38:52.520216Z",
"updated_at": "2022-09-04T14:38:52.520250Z",
"structure_string": "Sc8 Fe16\n1.0\n4.875802 -0.000000 0.000000\n-2.437901 4.222569 0.000000\n-0.000000 -0.000000 15.950351\nSc Fe\n8 16\ndirect\n0.000000 0.000000 0.406567 Sc\n0.000000 0.000000 0.593433 Sc\n0.000000 0.000000 0.906567 Sc\n0.000000 0.000000 0.093433 Sc\n0.333333 0.666667 0.655999 Sc\n0.666667 0.333333 0.344001 Sc\n0.666667 0.333333 0.155999 Sc\n0.333333 0.666667 0.844001 Sc\n0.835437 0.164562 0.750000 Fe\n0.670875 0.835438 0.250000 Fe\n0.164562 0.329125 0.250000 Fe\n0.164563 0.835438 0.250000 Fe\n0.000000 0.500000 -0.000000 Fe\n0.500000 0.000000 -0.000000 Fe\n0.500000 0.500000 -0.000000 Fe\n0.333333 0.666667 0.125066 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.835438 0.670876 0.750000 Fe\n0.666667 0.333333 0.874934 Fe\n0.666667 0.333333 0.625066 Fe\n0.333333 0.666667 0.374934 Fe\n0.000000 0.500000 0.500000 Fe\n0.329125 0.164562 0.750000 Fe\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Sc",
"Fe"
],
"chemical_system": "Fe-Sc",
"density": 6.336728344820073,
"density_atomic": 0.07308330535349522,
"volume": 328.39237201868286,
"volume_molar": 8.240104536694973,
"formula_full": "Sc8 Fe16",
"formula_reduced": "ScFe2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.690562083333334,
"spacegroup": 194
},
{
"id": "jvasp-28649",
"created_at": "2022-09-04T14:37:00.006783Z",
"updated_at": "2022-09-04T14:37:00.006800Z",
"structure_string": "Mo3 W1 Se6 S2\n1.0\n3.292149 -0.000000 0.000000\n-1.646074 2.851065 0.000010\n0.000000 0.000802 34.984898\nMo W Se S\n3 1 6 2\ndirect\n0.333318 0.666634 0.096687 Mo\n0.333325 0.666649 0.468839 Mo\n0.666659 0.333317 0.658069 Mo\n0.666704 0.333406 0.279318 W\n0.333343 0.666686 0.327787 Se\n0.333324 0.666647 0.706204 Se\n0.666663 0.333324 0.420655 Se\n0.666647 0.333292 0.517029 Se\n0.333385 0.666771 0.230861 Se\n0.333337 0.666673 0.609871 Se\n0.666650 0.333297 0.052838 S\n0.666646 0.333290 0.140591 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 5.105164223605594,
"density_atomic": 0.03654382752881202,
"volume": 328.3728282304013,
"volume_molar": 16.479228278023154,
"formula_full": "Mo3 W1 Se6 S2",
"formula_reduced": "Mo3W(Se3S)2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 3.8096064916666665,
"spacegroup": 156
},
{
"id": "jvasp-108980",
"created_at": "2022-09-04T14:38:27.228665Z",
"updated_at": "2022-09-04T14:38:27.228694Z",
"structure_string": "K2 Hg1 Au1 Br6\n1.0\n6.706395 -0.000000 3.871939\n2.235465 6.322850 3.871939\n-0.000000 -0.000000 7.743878\nK Hg Au Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Au\n0.755230 0.244770 0.244770 Br\n0.244771 0.244770 0.755230 Br\n0.244771 0.755230 0.755229 Br\n0.244771 0.755230 0.244770 Br\n0.755230 0.244770 0.755229 Br\n0.755231 0.755230 0.244770 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Hg",
"Au",
"Br"
],
"chemical_system": "Au-Br-Hg-K",
"density": 4.830282375241014,
"density_atomic": 0.030453659622910162,
"volume": 328.3677601911936,
"volume_molar": 19.77476872917293,
"formula_full": "K2 Hg1 Au1 Br6",
"formula_reduced": "K2HgAuBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-122574",
"created_at": "2022-09-04T14:38:51.406431Z",
"updated_at": "2022-09-04T14:38:51.406458Z",
"structure_string": "Sn7 I1\n1.0\n6.898997 -0.000000 0.000000\n0.000000 6.898997 -0.000000\n-0.000000 -0.000000 6.898997\nSn I\n7 1\ndirect\n0.277653 0.277653 0.777654 Sn\n0.000000 0.500000 0.000000 Sn\n0.277653 0.722347 0.222347 Sn\n0.500000 0.000000 0.000000 Sn\n0.722347 0.277653 0.222347 Sn\n0.500000 0.500000 0.500000 Sn\n0.722347 0.722347 0.777654 Sn\n0.000000 0.000000 0.500000 I\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sn",
"I"
],
"chemical_system": "I-Sn",
"density": 4.843951960859141,
"density_atomic": 0.024363075928354263,
"volume": 328.36576233337723,
"volume_molar": 24.718310519203794,
"formula_full": "Sn7 I1",
"formula_reduced": "Sn7I",
"formula_anonymous": "AB7",
"energy_above_hull": 0.43643825625,
"spacegroup": 215
},
{
"id": "jvasp-30355",
"created_at": "2022-09-04T14:37:03.071916Z",
"updated_at": "2022-09-04T14:37:03.071942Z",
"structure_string": "Cr4 Bi4 O16\n1.0\n6.896486 0.000000 -0.056412\n0.000000 7.235033 0.000000\n-1.745640 0.000000 6.595006\nCr Bi O\n4 4 16\ndirect\n0.202011 0.162657 0.892740 Cr\n0.297990 0.662657 0.607262 Cr\n0.702011 0.337342 0.392740 Cr\n0.797990 0.837342 0.107261 Cr\n0.213824 0.144727 0.424117 Bi\n0.286176 0.644727 0.075884 Bi\n0.713825 0.355273 0.924117 Bi\n0.786176 0.855273 0.575884 Bi\n0.891065 0.289954 0.275407 O\n0.745786 0.506852 0.569186 O\n0.608936 0.789954 0.224594 O\n0.754216 0.006853 0.930816 O\n0.612869 0.146265 0.480038 O\n0.529664 0.397647 0.164274 O\n0.470337 0.602353 0.835727 O\n0.254215 0.493147 0.430815 O\n0.245785 0.993147 0.069186 O\n0.391065 0.210046 0.775408 O\n0.887132 0.646265 0.019963 O\n0.108936 0.710045 0.724594 O\n0.112869 0.353735 0.980038 O\n0.029664 0.102353 0.664274 O\n0.387132 0.853735 0.519963 O\n0.970337 0.897647 0.335727 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Cr",
"Bi",
"O"
],
"chemical_system": "Bi-Cr-O",
"density": 6.5737864183623,
"density_atomic": 0.07309185652253804,
"volume": 328.35395270880207,
"volume_molar": 8.239140509644955,
"formula_full": "Cr4 Bi4 O16",
"formula_reduced": "CrBiO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.545887616666667,
"spacegroup": 14
},
{
"id": "jvasp-28956",
"created_at": "2022-09-04T14:38:34.798590Z",
"updated_at": "2022-09-04T14:38:34.798610Z",
"structure_string": "Mo2 W2 Se6 S2\n1.0\n3.291174 0.000000 0.000000\n-1.645587 2.850241 -0.000017\n-0.000002 -0.000203 35.002443\nMo W Se S\n2 2 6 2\ndirect\n0.333341 0.666682 0.468623 Mo\n0.666664 0.333331 0.279574 Mo\n0.333323 0.666649 0.096597 W\n0.666668 0.333338 0.658127 W\n0.333330 0.666663 0.327745 Se\n0.333339 0.666680 0.706527 Se\n0.666671 0.333342 0.420447 Se\n0.666677 0.333354 0.516791 Se\n0.333333 0.666668 0.231414 Se\n0.333332 0.666665 0.609664 Se\n0.666649 0.333300 0.052560 S\n0.666664 0.333330 0.140677 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 5.5501287363815255,
"density_atomic": 0.03654689306828847,
"volume": 328.3452844425873,
"volume_molar": 16.477846006629157,
"formula_full": "Mo2 W2 Se6 S2",
"formula_reduced": "MoWSe3S",
"formula_anonymous": "ABCD3",
"energy_above_hull": 3.591847666666666,
"spacegroup": 156
}
]
}