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=4106",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=4104",
"results": [
{
"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-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-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-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-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-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-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-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-179",
"created_at": "2022-09-04T14:38:08.570401Z",
"updated_at": "2022-09-04T14:38:08.570433Z",
"structure_string": "Ge3 I6\n1.0\n2.130366 -3.689902 0.000000\n2.130366 3.689902 0.000000\n-0.000000 -0.000000 20.895928\nGe I\n3 6\ndirect\n0.000000 0.000000 0.000000 Ge\n0.333334 0.666668 0.333361 Ge\n0.666668 0.333334 0.666639 Ge\n-0.000000 0.000000 0.248499 I\n-0.000000 0.000000 0.751502 I\n0.333334 0.666668 0.084857 I\n0.666668 0.333334 0.915143 I\n0.333334 0.666668 0.581778 I\n0.666668 0.333334 0.418222 I\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Ge",
"I"
],
"chemical_system": "Ge-I",
"density": 4.950224575894485,
"density_atomic": 0.027395661814631645,
"volume": 328.51916704539053,
"volume_molar": 21.982096292281057,
"formula_full": "Ge3 I6",
"formula_reduced": "GeI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0073699999999999,
"spacegroup": 166
},
{
"id": "jvasp-110396",
"created_at": "2022-09-04T14:38:37.403710Z",
"updated_at": "2022-09-04T14:38:37.403724Z",
"structure_string": "Ac6 Ho2\n1.0\n7.799906 -0.000000 0.000000\n-3.899953 6.754917 -0.000000\n-0.000000 0.000000 6.235510\nAc Ho\n6 2\ndirect\n0.169952 0.339903 0.250000 Ac\n0.660098 0.830049 0.250000 Ac\n0.169952 0.830049 0.250000 Ac\n0.830049 0.660097 0.750000 Ac\n0.339903 0.169952 0.750000 Ac\n0.830049 0.169952 0.750000 Ac\n0.333334 0.666667 0.750000 Ho\n0.666668 0.333333 0.250000 Ho\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ac",
"Ho"
],
"chemical_system": "Ac-Ho",
"density": 8.551303459176582,
"density_atomic": 0.024350541368670937,
"volume": 328.5347902076907,
"volume_molar": 24.731034389847288,
"formula_full": "Ac6 Ho2",
"formula_reduced": "Ac3Ho",
"formula_anonymous": "AB3",
"energy_above_hull": 0.9182063916666666,
"spacegroup": 194
},
{
"id": "jvasp-29484",
"created_at": "2022-09-04T14:38:13.285276Z",
"updated_at": "2022-09-04T14:38:13.285295Z",
"structure_string": "Zn2 In4 S8\n1.0\n3.914873 -0.000000 -0.000000\n-1.957436 3.390380 -0.000000\n-0.000000 -0.000000 24.756149\nZn In S\n2 4 8\ndirect\n0.000000 0.000000 0.912996 Zn\n0.000000 0.000000 0.412996 Zn\n0.666666 0.333333 0.594368 In\n0.333332 0.666667 0.094368 In\n0.333332 0.666667 0.756440 In\n0.666666 0.333333 0.256440 In\n0.333332 0.666667 0.934373 S\n0.666666 0.333333 0.434373 S\n0.666666 0.333333 0.693940 S\n0.000000 0.000000 0.807581 S\n0.000000 0.000000 0.050802 S\n0.333332 0.666667 0.193940 S\n0.000000 0.000000 0.307581 S\n0.000000 0.000000 0.550802 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Zn",
"In",
"S"
],
"chemical_system": "In-S-Zn",
"density": 4.27841933381215,
"density_atomic": 0.04260679752707451,
"volume": 328.58606636895655,
"volume_molar": 14.134225310346848,
"formula_full": "Zn2 In4 S8",
"formula_reduced": "Zn(InS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.7696842814285715,
"spacegroup": 186
},
{
"id": "jvasp-29530",
"created_at": "2022-09-04T14:38:03.481798Z",
"updated_at": "2022-09-04T14:38:03.481825Z",
"structure_string": "Cd3 I6\n1.0\n4.284671 0.000000 0.000000\n-2.142336 3.710634 -0.000000\n0.000000 -0.000000 20.667333\nCd I\n3 6\ndirect\n0.666666 0.333333 0.333015 Cd\n0.333332 0.666666 0.666984 Cd\n0.000000 0.000000 0.000000 Cd\n0.333332 0.666666 0.083944 I\n0.333332 0.666666 0.416923 I\n0.666666 0.333333 0.916056 I\n0.666666 0.333333 0.583077 I\n-0.000000 0.000000 0.249109 I\n-0.000000 0.000000 0.750891 I\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Cd",
"I"
],
"chemical_system": "Cd-I",
"density": 5.552164213767456,
"density_atomic": 0.02739002777633879,
"volume": 328.586742353535,
"volume_molar": 21.98661793692046,
"formula_full": "Cd3 I6",
"formula_reduced": "CdI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0002366666666666,
"spacegroup": 164
}
]
}