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_molar&page=700",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=698",
"results": [
{
"id": "jvasp-116898",
"created_at": "2022-09-04T14:38:47.190258Z",
"updated_at": "2022-09-04T14:38:47.190273Z",
"structure_string": "Li3 V6 O3 F15\n1.0\n5.066576 -0.000211 0.000328\n-2.533039 4.387975 -0.000227\n-0.000738 -0.000079 13.782051\nLi V O F\n3 6 3 15\ndirect\n0.337484 0.662925 0.870292 Li\n0.992108 0.995872 0.203628 Li\n0.670436 0.341231 0.536962 Li\n0.029673 0.026606 0.507600 V\n0.692073 0.365779 0.330252 V\n0.663606 0.303666 0.840932 V\n0.967568 0.992964 0.996916 V\n0.306727 0.669724 0.174263 V\n0.340369 0.641267 0.663586 V\n-0.001276 0.615846 0.252408 O\n0.283804 0.334617 0.585740 O\n0.717495 0.049548 0.919074 O\n0.025700 0.313888 0.092618 F\n0.335734 0.310214 0.922103 F\n0.351471 0.352105 0.252484 F\n0.981258 0.666039 0.919149 F\n0.619263 0.616214 0.761186 F\n0.717123 0.669722 0.427854 F\n0.368873 0.970878 0.756408 F\n0.663600 0.714061 0.094504 F\n0.667302 0.981882 0.585821 F\n0.641127 -0.002399 0.255438 F\n0.023144 0.692207 0.588775 F\n0.362431 0.064672 0.423059 F\n0.268663 0.964432 0.089734 F\n0.019389 0.378442 0.759269 F\n0.954871 0.307610 0.425945 F\n",
"nsites": 27,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.573932778283322,
"density_atomic": 0.08812145203926029,
"volume": 306.3953143664817,
"volume_molar": 6.8339100419237155,
"formula_full": "Li3 V6 O3 F15",
"formula_reduced": "LiV2OF5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.1304981458333332,
"spacegroup": 145
},
{
"id": "jvasp-104112",
"created_at": "2022-09-04T14:36:49.037603Z",
"updated_at": "2022-09-04T14:36:49.037625Z",
"structure_string": "H6 C12 S3 O1\n1.0\n4.366097 0.017554 -0.169698\n-1.953204 5.431834 -1.206549\n-0.247412 -0.084802 10.541107\nH C S O\n6 12 3 1\ndirect\n0.623971 0.722459 0.867615 H\n0.216125 0.112900 0.203052 H\n0.497561 0.449509 0.372681 H\n0.415270 0.880430 0.005887 H\n0.837872 0.545240 0.657916 H\n0.299179 0.652691 0.578726 H\n0.780691 0.815595 0.352873 C\n0.590665 0.012654 0.553987 C\n0.935585 0.761457 0.240029 C\n0.325462 0.343544 0.863869 C\n0.537574 0.176620 0.664396 C\n0.122012 0.536067 0.050687 C\n0.569679 0.647878 0.409881 C\n0.545961 0.527584 0.821629 C\n0.143070 0.913184 0.174751 C\n0.664945 0.429558 0.707821 C\n0.252074 0.786822 0.066665 C\n0.462311 0.757954 0.521479 C\n0.843959 0.116049 0.440613 S\n0.869512 0.452359 0.166434 S\n0.266770 0.052246 0.767923 S\n0.141998 0.336649 0.963949 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.7451084619735417,
"density_atomic": 0.08812134235406945,
"volume": 249.65575208335486,
"volume_molar": 6.833918548134664,
"formula_full": "H6 C12 S3 O1",
"formula_reduced": "H6C12S3O",
"formula_anonymous": "AB3C6D12",
"energy_above_hull": 5.542591977272727,
"spacegroup": 1
},
{
"id": "jvasp-102245",
"created_at": "2022-09-04T14:36:43.721777Z",
"updated_at": "2022-09-04T14:36:43.721785Z",
"structure_string": "Na1 Co3 O6\n1.0\n4.832541 -0.025171 -0.681965\n-2.252459 4.111235 1.364886\n-0.005035 0.007671 5.730793\nNa Co O\n1 3 6\ndirect\n0.333345 0.166666 0.500002 Na\n0.669827 0.334915 -0.000001 Co\n0.333332 0.666666 0.000001 Co\n-0.003173 -0.001586 0.000001 Co\n0.333338 0.944955 0.172985 O\n0.002173 0.275398 0.175633 O\n0.664500 0.606566 0.175643 O\n0.664491 0.057931 0.824358 O\n0.333330 0.388381 0.827015 O\n0.002164 0.726771 0.824367 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Na",
"Co",
"O"
],
"chemical_system": "Co-Na-O",
"density": 4.328194404420067,
"density_atomic": 0.08812120114613628,
"volume": 113.48006915403303,
"volume_molar": 6.83392949900121,
"formula_full": "Na1 Co3 O6",
"formula_reduced": "Na(CoO2)3",
"formula_anonymous": "AB3C6",
"energy_above_hull": 2.69807727,
"spacegroup": 12
},
{
"id": "jvasp-117003",
"created_at": "2022-09-04T14:38:47.741490Z",
"updated_at": "2022-09-04T14:38:47.741513Z",
"structure_string": "Sr1 Pr3 Fe4 O12\n1.0\n7.659663 -0.000000 0.000000\n0.000000 5.474863 0.004945\n-0.000000 -0.011676 5.412356\nSr Pr Fe O\n1 3 4 12\ndirect\n0.500000 0.496058 0.510387 Sr\n0.500000 0.004698 0.015033 Pr\n-0.000000 0.505266 0.485008 Pr\n-0.000000 0.000774 0.985904 Pr\n0.251888 0.498919 -0.000562 Fe\n0.747818 0.000727 0.500409 Fe\n0.748111 0.498919 -0.000562 Fe\n0.252181 0.000727 0.500409 Fe\n0.500000 0.954126 0.492626 O\n0.500000 0.559810 0.001894 O\n0.272163 0.257203 0.257744 O\n0.723176 0.229064 0.770352 O\n0.783937 0.737536 0.737132 O\n0.727837 0.257203 0.257744 O\n0.216063 0.737536 0.737132 O\n0.785208 0.763571 0.236057 O\n-0.000000 0.443922 -0.000697 O\n0.276824 0.229064 0.770352 O\n0.214791 0.763571 0.236057 O\n-0.000000 0.061292 0.507592 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Pr",
"Fe",
"O"
],
"chemical_system": "Fe-O-Pr-Sr",
"density": 6.7726187819684025,
"density_atomic": 0.08811703513292958,
"volume": 226.97086857074638,
"volume_molar": 6.834252594762473,
"formula_full": "Sr1 Pr3 Fe4 O12",
"formula_reduced": "SrPr3(FeO3)4",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 2.855920493,
"spacegroup": 6
},
{
"id": "jvasp-70845",
"created_at": "2022-09-04T14:36:16.200670Z",
"updated_at": "2022-09-04T14:36:16.200700Z",
"structure_string": "Be1 V2 Fe1\n1.0\n2.796023 -0.000000 0.000000\n0.000000 2.796023 -0.000000\n-0.000000 0.000000 5.806771\nBe V Fe\n1 2 1\ndirect\n0.000000 0.000000 0.530834 Be\n0.000000 0.000000 0.968001 V\n0.499999 0.499999 0.266455 V\n0.499999 0.499999 0.734709 Fe\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"V",
"Fe"
],
"chemical_system": "Be-Fe-V",
"density": 6.099204433107757,
"density_atomic": 0.08811377603722206,
"volume": 45.39585272466672,
"volume_molar": 6.834505375704312,
"formula_full": "Be1 V2 Fe1",
"formula_reduced": "BeV2Fe",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.4680675,
"spacegroup": 99
},
{
"id": "jvasp-98882",
"created_at": "2022-09-04T14:35:51.231297Z",
"updated_at": "2022-09-04T14:35:51.231311Z",
"structure_string": "Ni4 Bi4 O12\n1.0\n5.371015 -0.079683 0.009254\n0.082226 5.553977 0.104801\n-0.015181 -0.143323 7.604876\nNi Bi O\n4 4 12\ndirect\n0.500000 0.000000 -0.000000 Ni\n0.000000 0.500000 -0.000000 Ni\n0.500001 0.000000 0.500000 Ni\n0.000001 0.500001 0.500000 Ni\n0.991078 0.056594 0.750006 Bi\n0.491076 0.443409 0.250011 Bi\n0.508925 0.556593 0.749989 Bi\n0.008924 0.943408 0.249994 Bi\n0.417618 0.977394 0.749998 O\n0.582384 0.022608 0.250002 O\n0.702645 0.294009 0.539354 O\n0.202646 0.205993 0.039352 O\n0.797356 0.794009 0.960648 O\n0.702665 0.293999 0.960632 O\n0.297337 0.706002 0.039367 O\n0.797339 0.794002 0.539371 O\n0.202663 0.206000 0.460629 O\n0.297356 0.705993 0.460646 O\n0.082383 0.477394 0.750001 O\n0.917619 0.522608 0.249999 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ni",
"Bi",
"O"
],
"chemical_system": "Bi-Ni-O",
"density": 9.237219929171143,
"density_atomic": 0.08811018820764852,
"volume": 226.98850617440715,
"volume_molar": 6.834783675422045,
"formula_full": "Ni4 Bi4 O12",
"formula_reduced": "NiBiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.7225554399999998,
"spacegroup": 62
},
{
"id": "jvasp-109747",
"created_at": "2022-09-04T14:38:19.214714Z",
"updated_at": "2022-09-04T14:38:19.214735Z",
"structure_string": "Ga1 Ni6 Ge1\n1.0\n3.567335 0.000000 0.000000\n0.000000 3.567335 0.000000\n-0.000000 0.000000 7.134838\nGa Ni Ge\n1 6 1\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500001 0.500001 -0.000000 Ni\n0.500001 0.500001 0.500000 Ni\n0.500001 0.000000 0.251226 Ni\n0.500001 0.000000 0.748774 Ni\n-0.000000 0.500001 0.251226 Ni\n-0.000000 0.500001 0.748774 Ni\n0.000000 0.000000 0.500000 Ge\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ga",
"Ni",
"Ge"
],
"chemical_system": "Ga-Ge-Ni",
"density": 9.04407255197307,
"density_atomic": 0.08810855538153474,
"volume": 90.79708508847702,
"volume_molar": 6.834910337506321,
"formula_full": "Ga1 Ni6 Ge1",
"formula_reduced": "GaNi6Ge",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.922790334375,
"spacegroup": 123
},
{
"id": "jvasp-57161",
"created_at": "2022-09-04T14:37:33.242599Z",
"updated_at": "2022-09-04T14:37:33.242625Z",
"structure_string": "Li2 Lu2 F8\n1.0\n5.097799 0.115213 -0.000112\n-0.121101 5.100701 -0.000083\n-2.488085 -2.607599 5.235122\nLi Lu F\n2 2 8\ndirect\n0.625274 0.875294 0.750599 Li\n0.374728 0.124705 0.249401 Li\n0.875043 0.625058 0.250106 Lu\n0.124959 0.374942 0.749895 Lu\n0.172952 0.038601 0.412310 F\n0.874215 0.672941 0.912407 F\n0.538192 0.239461 0.912427 F\n0.827050 0.961399 0.587691 F\n0.461810 0.760538 0.087573 F\n0.125786 0.327058 0.087594 F\n0.260630 0.626288 0.587685 F\n0.739371 0.373711 0.412315 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Lu",
"F"
],
"chemical_system": "F-Li-Lu",
"density": 6.2888159579998915,
"density_atomic": 0.08810833212260717,
"volume": 136.19597274070966,
"volume_molar": 6.834927656580638,
"formula_full": "Li2 Lu2 F8",
"formula_reduced": "LiLuF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 88
},
{
"id": "jvasp-111978",
"created_at": "2022-09-04T14:38:53.042340Z",
"updated_at": "2022-09-04T14:38:53.042352Z",
"structure_string": "Li3 Fe3 F9\n1.0\n5.097698 0.010355 0.006427\n2.532748 4.416828 0.003191\n-0.006198 -0.011574 7.570546\nLi Fe F\n3 3 9\ndirect\n0.999833 0.001167 0.655934 Li\n0.000619 0.999910 0.343960 Li\n0.668719 0.665120 0.261527 Li\n0.334239 0.332602 0.347706 Fe\n0.003603 -0.004158 0.994848 Fe\n0.667631 0.666913 0.677915 Fe\n0.978283 0.688108 0.490377 F\n0.307066 0.686392 0.191040 F\n0.008855 0.303830 0.190394 F\n0.333790 0.978582 0.490833 F\n0.312345 0.712173 0.812137 F\n0.688731 0.006563 0.190950 F\n0.713882 0.974260 0.814344 F\n0.689082 0.333421 0.490509 F\n0.972909 0.312131 0.814450 F\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Li",
"Fe",
"F"
],
"chemical_system": "F-Fe-Li",
"density": 3.5047171496758693,
"density_atomic": 0.08810188207778719,
"volume": 170.25742976473708,
"volume_molar": 6.835428049860403,
"formula_full": "Li3 Fe3 F9",
"formula_reduced": "LiFeF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.3093372695,
"spacegroup": 143
},
{
"id": "jvasp-43501",
"created_at": "2022-09-04T14:37:16.412367Z",
"updated_at": "2022-09-04T14:37:16.412403Z",
"structure_string": "Mn2 Ag2 O6\n1.0\n5.020810 0.000111 0.000426\n2.510267 4.348477 0.000212\n2.508986 1.450793 5.199142\nMn Ag O\n2 2 6\ndirect\n0.660202 0.660210 0.019395 Mn\n0.339800 0.339790 0.980605 Mn\n0.861992 0.861838 0.414208 Ag\n0.138010 0.138162 0.585792 Ag\n0.939319 0.314815 0.203321 O\n0.457361 0.060804 0.796700 O\n0.685061 0.457490 0.796701 O\n0.314940 0.542509 0.203299 O\n0.542640 0.939196 0.203300 O\n0.060683 0.685184 0.796679 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Mn",
"Ag",
"O"
],
"chemical_system": "Ag-Mn-O",
"density": 6.1679310704039905,
"density_atomic": 0.08810096275907875,
"volume": 113.50613758156129,
"volume_molar": 6.835499376400881,
"formula_full": "Mn2 Ag2 O6",
"formula_reduced": "MnAgO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.148633000275862,
"spacegroup": 148
},
{
"id": "jvasp-57607",
"created_at": "2022-09-04T14:38:34.468518Z",
"updated_at": "2022-09-04T14:38:34.468544Z",
"structure_string": "Sn8 O16\n1.0\n5.145063 0.000000 0.000000\n-0.000000 5.227541 0.000000\n0.000000 0.000000 10.128672\nSn O\n8 16\ndirect\n0.771077 0.469273 0.117958 Sn\n0.728922 0.469273 0.617958 Sn\n0.271077 0.030727 0.117958 Sn\n0.228923 0.530727 0.882042 Sn\n0.771077 0.969272 0.382042 Sn\n0.728922 0.969272 0.882042 Sn\n0.271077 0.530727 0.382042 Sn\n0.228923 0.030727 0.617958 Sn\n0.494575 0.259478 0.977257 O\n0.505425 0.740522 0.022743 O\n0.361677 0.371012 0.708531 O\n0.505425 0.240522 0.477257 O\n0.138323 0.871012 0.291469 O\n0.005425 0.259478 0.477257 O\n0.861677 0.128988 0.708531 O\n0.638322 0.128988 0.208531 O\n0.138323 0.371012 0.208531 O\n0.638322 0.628988 0.291469 O\n0.994574 0.740522 0.522743 O\n0.005425 0.759478 0.022743 O\n0.994574 0.240522 0.977257 O\n0.861677 0.628988 0.791469 O\n0.361677 0.871012 0.791469 O\n0.494575 0.759478 0.522743 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Sn",
"O"
],
"chemical_system": "O-Sn",
"density": 7.349148858011123,
"density_atomic": 0.08809892104063742,
"volume": 272.42104348734887,
"volume_molar": 6.835657791112068,
"formula_full": "Sn8 O16",
"formula_reduced": "SnO2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.9916462333333336,
"spacegroup": 61
},
{
"id": "jvasp-21631",
"created_at": "2022-09-04T14:38:34.701838Z",
"updated_at": "2022-09-04T14:38:34.701872Z",
"structure_string": "Pr2 B4 C4\n1.0\n5.397421 0.000000 0.000000\n-0.000000 5.397421 -0.000000\n0.000000 0.000000 3.896407\nPr B C\n2 4 4\ndirect\n0.500000 0.500000 0.000000 Pr\n0.000000 0.000000 0.000000 Pr\n0.138509 0.638509 0.500000 B\n0.638509 0.861491 0.500000 B\n0.861491 0.361491 0.500000 B\n0.361491 0.138509 0.500000 B\n0.839625 0.660375 0.500000 C\n0.339625 0.839625 0.500000 C\n0.660375 0.160375 0.500000 C\n0.160375 0.339625 0.500000 C\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Pr",
"B",
"C"
],
"chemical_system": "B-C-Pr",
"density": 5.458079877211966,
"density_atomic": 0.08809740098287551,
"volume": 113.51072663248958,
"volume_molar": 6.83577573550733,
"formula_full": "Pr2 B4 C4",
"formula_reduced": "Pr(BC)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.742545003333333,
"spacegroup": 127
}
]
}