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=415",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=413",
"results": [
{
"id": "jvasp-28848",
"created_at": "2022-09-04T14:37:17.230543Z",
"updated_at": "2022-09-04T14:37:17.230567Z",
"structure_string": "Te2 Mo1 W3 Se4 S2\n1.0\n3.353236 0.000001 -0.000000\n-1.676617 2.903980 -0.000037\n-0.000000 -0.000479 37.877392\nTe Mo W Se S\n2 1 3 4 2\ndirect\n0.333356 0.666713 0.707789 Te\n0.333354 0.666709 0.607086 Te\n0.666690 0.333380 0.281774 Mo\n0.333314 0.666627 0.093898 W\n0.333313 0.666626 0.469630 W\n0.666688 0.333375 0.657564 W\n0.333356 0.666713 0.325823 Se\n0.666644 0.333287 0.049892 Se\n0.666643 0.333284 0.138167 Se\n0.333353 0.666707 0.237809 Se\n0.666645 0.333287 0.429378 S\n0.666644 0.333287 0.509935 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.774476346739394,
"density_atomic": 0.032534441939489255,
"volume": 368.8398904250079,
"volume_molar": 18.510047817019778,
"formula_full": "Te2 Mo1 W3 Se4 S2",
"formula_reduced": "Te2MoW3(Se2S)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 4.124567908333334,
"spacegroup": 156
},
{
"id": "jvasp-112243",
"created_at": "2022-09-04T14:38:44.096450Z",
"updated_at": "2022-09-04T14:38:44.096479Z",
"structure_string": "H20 C18 O4\n1.0\n6.099964 0.000000 -0.983144\n0.000000 7.081703 0.000000\n-0.073870 0.000000 8.549584\nH C O\n20 18 4\ndirect\n0.739838 0.837501 0.112183 H\n0.388832 0.776638 0.915929 H\n0.611167 0.276639 0.084071 H\n0.519859 0.366567 0.707021 H\n0.480141 0.866567 0.292979 H\n0.580762 0.371158 0.427722 H\n0.301108 0.228871 0.216105 H\n0.698891 0.728871 0.783895 H\n0.963065 0.084021 0.287241 H\n0.036934 0.584020 0.712759 H\n0.419238 0.871158 0.572278 H\n0.089903 0.568555 0.434384 H\n0.910097 0.068555 0.565616 H\n0.107370 0.538724 0.181919 H\n0.892629 0.038724 0.818081 H\n0.145369 0.787971 0.183696 H\n0.260162 0.337502 0.887817 H\n0.035901 0.671022 0.003906 H\n0.964099 0.171022 -0.003906 H\n0.854630 0.287971 0.816304 H\n0.911582 0.642651 0.620794 C\n0.400331 0.300766 0.614870 C\n0.599669 0.800765 0.385130 C\n0.433532 0.305445 0.457582 C\n0.566467 0.805445 0.542418 C\n0.276600 0.225763 0.339275 C\n0.723399 0.725763 0.660725 C\n0.088418 0.142651 0.379206 C\n0.057302 0.135409 0.537154 C\n0.653330 0.550754 0.090579 C\n0.213823 0.214325 0.656442 C\n0.786176 0.714325 0.343558 C\n0.962321 0.172520 0.867488 C\n0.037678 0.672520 0.132512 C\n0.194965 0.205056 0.831877 C\n0.805034 0.705055 0.168123 C\n0.346669 0.050755 0.909421 C\n0.942698 0.635409 0.462846 C\n0.490975 0.580276 0.985879 O\n0.709360 0.378923 0.142806 O\n0.290640 0.878923 0.857194 O\n0.509025 0.080276 0.014121 O\n",
"nsites": 42,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.3522921426005032,
"density_atomic": 0.11387923137292064,
"volume": 368.811762194482,
"volume_molar": 5.288181775901946,
"formula_full": "H20 C18 O4",
"formula_reduced": "H10C9O2",
"formula_anonymous": "A2B9C10",
"energy_above_hull": 5.109452238095238,
"spacegroup": 4
},
{
"id": "jvasp-12034",
"created_at": "2022-09-04T14:37:30.914747Z",
"updated_at": "2022-09-04T14:37:30.914779Z",
"structure_string": "Nb4 Co4 Te8\n1.0\n6.362994 0.000000 0.000000\n0.000000 6.969254 -3.589162\n0.000000 0.096384 8.267144\nNb Co Te\n4 4 8\ndirect\n0.516165 0.805436 0.513700 Nb\n0.483835 0.194563 0.486299 Nb\n0.016165 0.694563 0.486299 Nb\n0.983834 0.305436 0.513700 Nb\n0.145601 0.058748 0.611727 Co\n0.645601 0.441251 0.388273 Co\n0.354399 0.558748 0.611727 Co\n0.854399 0.941251 0.388273 Co\n0.744540 0.636127 0.727500 Te\n0.251016 0.408361 0.817345 Te\n0.751016 0.091638 0.182654 Te\n0.244540 0.863872 0.272499 Te\n0.248983 0.908361 0.817345 Te\n0.748983 0.591638 0.182654 Te\n0.755459 0.136127 0.727500 Te\n0.255459 0.363872 0.272499 Te\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Nb",
"Co",
"Te"
],
"chemical_system": "Co-Nb-Te",
"density": 7.330652209806296,
"density_atomic": 0.04338272953956828,
"volume": 368.8103577117435,
"volume_molar": 13.881424299287943,
"formula_full": "Nb4 Co4 Te8",
"formula_reduced": "NbCoTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.559233958333333,
"spacegroup": 14
},
{
"id": "jvasp-28885",
"created_at": "2022-09-04T14:37:55.071670Z",
"updated_at": "2022-09-04T14:37:55.071698Z",
"structure_string": "Te2 Mo1 W3 Se4 S2\n1.0\n3.353495 -0.000000 0.000000\n-1.676748 2.904204 -0.000015\n0.000000 -0.000195 37.867049\nTe Mo W Se S\n2 1 3 4 2\ndirect\n0.333355 0.666713 0.332132 Te\n0.333357 0.666715 0.231264 Te\n0.333313 0.666627 0.469734 Mo\n0.333310 0.666620 0.093942 W\n0.666687 0.333372 0.281780 W\n0.666683 0.333364 0.657518 W\n0.333353 0.666708 0.701425 Se\n0.666649 0.333296 0.425822 Se\n0.666649 0.333295 0.513675 Se\n0.333353 0.666707 0.613365 Se\n0.666642 0.333282 0.053889 S\n0.666645 0.333287 0.134201 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.775163008673712,
"density_atomic": 0.03253831071675886,
"volume": 368.79603567801075,
"volume_molar": 18.507846988191357,
"formula_full": "Te2 Mo1 W3 Se4 S2",
"formula_reduced": "Te2MoW3(Se2S)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 4.124099575000001,
"spacegroup": 156
},
{
"id": "jvasp-119087",
"created_at": "2022-09-04T14:38:50.822408Z",
"updated_at": "2022-09-04T14:38:50.822434Z",
"structure_string": "Na4 Tl8\n1.0\n6.970967 -0.000000 4.024690\n2.323656 6.572291 4.024690\n-0.000000 -0.000000 8.049379\nNa Tl\n4 8\ndirect\n0.125000 0.125000 0.125000 Na\n0.125000 0.125000 0.625000 Na\n0.125000 0.625000 0.125000 Na\n0.625000 0.125000 0.125000 Na\n0.398780 0.398779 0.398779 Tl\n0.398780 0.398779 0.803663 Tl\n0.398780 0.803663 0.398779 Tl\n0.851222 0.851221 0.446337 Tl\n0.851222 0.851221 0.851220 Tl\n0.803664 0.398779 0.398779 Tl\n0.851221 0.446337 0.851221 Tl\n0.446338 0.851221 0.851220 Tl\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Na",
"Tl"
],
"chemical_system": "Na-Tl",
"density": 7.7763474047762635,
"density_atomic": 0.03253936387632314,
"volume": 368.78409933304346,
"volume_molar": 18.507247968611747,
"formula_full": "Na4 Tl8",
"formula_reduced": "NaTl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0950420833333333,
"spacegroup": 227
},
{
"id": "jvasp-96632",
"created_at": "2022-09-04T14:36:15.820017Z",
"updated_at": "2022-09-04T14:36:15.820033Z",
"structure_string": "Tm8 S8 O4\n1.0\n6.674507 0.000000 -1.149489\n0.000000 6.778449 0.000000\n0.009255 0.000000 8.148236\nTm S O\n8 8 4\ndirect\n0.175979 0.354033 0.424646 Tm\n0.824022 0.645967 0.575355 Tm\n0.675979 0.145967 0.424646 Tm\n0.251029 0.446216 0.861669 Tm\n0.248972 0.946216 0.138331 Tm\n0.748972 0.553784 0.138331 Tm\n0.751030 0.053784 0.861669 Tm\n0.324022 0.854033 0.575355 Tm\n0.419363 0.630593 0.317837 S\n0.080638 0.130593 0.682163 S\n0.580638 0.369407 0.682163 S\n0.969426 0.722016 0.924300 S\n0.530575 0.222016 0.075701 S\n0.030575 0.277984 0.075701 S\n0.469426 0.777984 0.924300 S\n0.919364 0.869407 0.317837 S\n0.650170 0.913152 0.616537 O\n0.849831 0.413152 0.383463 O\n0.349831 0.086848 0.383463 O\n0.150170 0.586848 0.616537 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Tm",
"S",
"O"
],
"chemical_system": "O-S-Tm",
"density": 7.52982764151079,
"density_atomic": 0.054241529263702015,
"volume": 368.7211675535084,
"volume_molar": 11.102453860993862,
"formula_full": "Tm8 S8 O4",
"formula_reduced": "Tm2S2O",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.3251664,
"spacegroup": 14
},
{
"id": "jvasp-107808",
"created_at": "2022-09-04T14:36:34.558340Z",
"updated_at": "2022-09-04T14:36:34.558368Z",
"structure_string": "K2 Tl1 As1 Br6\n1.0\n6.970426 -0.000000 4.024377\n2.323475 6.571781 4.024377\n-0.000000 -0.000000 8.048755\nK Tl As 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 Tl\n0.000000 0.000000 0.000000 As\n0.766396 0.233605 0.233605 Br\n0.233605 0.233605 0.766395 Br\n0.233606 0.766395 0.766395 Br\n0.233606 0.766395 0.233605 Br\n0.766396 0.233605 0.766395 Br\n0.766396 0.766395 0.233605 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Tl",
"As",
"Br"
],
"chemical_system": "As-Br-K-Tl",
"density": 3.769335429338987,
"density_atomic": 0.027122448216691766,
"volume": 368.69827974621313,
"volume_molar": 22.20352938601553,
"formula_full": "K2 Tl1 As1 Br6",
"formula_reduced": "K2TlAsBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-112247",
"created_at": "2022-09-04T14:38:46.094895Z",
"updated_at": "2022-09-04T14:38:46.094923Z",
"structure_string": "H16 C16 O8\n1.0\n5.220420 0.000000 0.000000\n0.000000 6.694322 0.000000\n0.000000 0.000000 10.549698\nH C O\n16 16 8\ndirect\n0.467862 0.526225 0.021530 H\n0.088713 0.147654 0.179135 H\n0.411287 0.852346 0.679135 H\n0.911287 0.647654 0.320865 H\n0.588713 0.352346 0.820865 H\n0.564051 0.041125 0.769915 H\n0.064051 0.458875 0.230086 H\n0.435949 0.541125 0.730086 H\n0.935949 0.958875 0.269915 H\n0.688414 0.217373 0.567999 H\n0.188414 0.282627 0.432002 H\n0.311586 0.717373 0.932002 H\n0.967862 0.973775 0.978470 H\n0.532138 0.026225 0.478470 H\n0.032138 0.473775 0.521531 H\n0.811586 0.782627 0.067999 H\n0.157015 0.444221 0.440023 C\n0.918254 0.052520 0.185410 C\n0.581746 0.947480 0.685410 C\n0.081746 0.552520 0.314590 C\n0.418254 0.447480 0.814590 C\n0.842985 0.944221 0.059977 C\n0.657015 0.055779 0.559977 C\n0.342985 0.555779 0.940023 C\n0.665532 0.168542 0.183285 C\n0.906902 0.936317 0.554810 C\n0.406902 0.563682 0.445190 C\n0.093098 0.436317 0.945190 C\n0.834468 0.831457 0.683285 C\n0.334468 0.668542 0.316715 C\n0.165532 0.331458 0.816716 C\n0.593098 0.063683 0.054810 C\n0.085505 0.923102 0.481510 O\n0.056823 0.213785 0.747872 O\n0.443177 0.786215 0.247872 O\n0.943177 0.713784 0.752128 O\n0.556823 0.286215 0.252128 O\n0.914495 0.423102 0.018490 O\n0.585505 0.576897 0.518490 O\n0.414495 0.076897 0.981510 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.5146609279406533,
"density_atomic": 0.10849454946112573,
"volume": 368.6821153567005,
"volume_molar": 5.550638985931521,
"formula_full": "H16 C16 O8",
"formula_reduced": "H2C2O",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.1299627,
"spacegroup": 19
},
{
"id": "jvasp-28809",
"created_at": "2022-09-04T14:38:33.372173Z",
"updated_at": "2022-09-04T14:38:33.372190Z",
"structure_string": "Te2 Mo2 W2 Se4 S2\n1.0\n3.354267 0.000001 -0.000000\n-1.677133 2.904896 -0.000025\n0.000002 -0.000325 37.834534\nTe Mo W Se S\n2 2 2 4 2\ndirect\n0.333355 0.666709 0.707819 Te\n0.333350 0.666699 0.607026 Te\n0.333314 0.666627 0.093917 Mo\n0.666698 0.333396 0.281767 Mo\n0.333313 0.666622 0.469612 W\n0.666684 0.333368 0.657570 W\n0.333359 0.666718 0.325860 Se\n0.666643 0.333283 0.050117 Se\n0.666647 0.333292 0.137959 Se\n0.333355 0.666708 0.237783 Se\n0.666644 0.333287 0.429352 S\n0.666647 0.333292 0.509964 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.381485624885209,
"density_atomic": 0.032551017159198975,
"volume": 368.6520744132501,
"volume_molar": 18.50062236318822,
"formula_full": "Te2 Mo2 W2 Se4 S2",
"formula_reduced": "TeMoWSe2S",
"formula_anonymous": "ABCDE2",
"energy_above_hull": 3.531745066666667,
"spacegroup": 156
},
{
"id": "jvasp-50626",
"created_at": "2022-09-04T14:36:34.889836Z",
"updated_at": "2022-09-04T14:36:34.889853Z",
"structure_string": "Li10 Bi2 S8\n1.0\n3.805734 6.281427 0.000000\n-3.805734 6.281427 0.000000\n0.000000 0.000000 7.708822\nLi Bi S\n10 2 8\ndirect\n0.240958 0.883386 0.303680 Li\n0.759043 0.116614 0.803680 Li\n0.835089 0.426270 0.016059 Li\n0.573731 0.164911 0.516059 Li\n0.863384 0.863384 0.213661 Li\n0.883386 0.240958 0.303680 Li\n0.164911 0.573731 0.516059 Li\n0.426270 0.835089 0.016059 Li\n0.116614 0.759043 0.803680 Li\n0.136616 0.136616 0.713661 Li\n0.333460 0.333460 0.078782 Bi\n0.666540 0.666540 0.578782 Bi\n0.500855 0.005861 0.270549 S\n0.499145 0.994140 0.770549 S\n0.005861 0.500855 0.270549 S\n0.022961 0.022961 0.027563 S\n0.977040 0.977040 0.527563 S\n0.476728 0.476728 0.715116 S\n0.523272 0.523272 0.215116 S\n0.994140 0.499145 0.770549 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Bi",
"S"
],
"chemical_system": "Bi-Li-S",
"density": 3.351533190045779,
"density_atomic": 0.054264428701746185,
"volume": 368.56556824593304,
"volume_molar": 11.097768656331974,
"formula_full": "Li10 Bi2 S8",
"formula_reduced": "Li5BiS4",
"formula_anonymous": "AB4C5",
"energy_above_hull": 1.3174694299999998,
"spacegroup": 36
},
{
"id": "jvasp-101523",
"created_at": "2022-09-04T14:36:42.336681Z",
"updated_at": "2022-09-04T14:36:42.336706Z",
"structure_string": "K1 Rb2 As1 Br6\n1.0\n6.969442 -0.000000 4.023809\n2.323147 6.570853 4.023809\n-0.000000 -0.000000 8.047619\nK Rb As Br\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 As\n0.766737 0.233263 0.233263 Br\n0.233263 0.233263 0.766737 Br\n0.233264 0.766736 0.766737 Br\n0.233264 0.766736 0.233263 Br\n0.766737 0.233263 0.766737 Br\n0.766737 0.766736 0.233263 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"As",
"Br"
],
"chemical_system": "As-Br-K-Rb",
"density": 3.444062004565772,
"density_atomic": 0.02713393829221003,
"volume": 368.5421516150102,
"volume_molar": 22.194127130188527,
"formula_full": "K1 Rb2 As1 Br6",
"formula_reduced": "KRb2AsBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-28947",
"created_at": "2022-09-04T14:38:08.689394Z",
"updated_at": "2022-09-04T14:38:08.689411Z",
"structure_string": "Te2 Mo2 W2 Se4 S2\n1.0\n3.348727 -0.000000 0.000002\n-1.674364 2.900075 0.000000\n0.000019 0.000015 37.947006\nTe Mo W Se S\n2 2 2 4 2\ndirect\n0.333357 0.666712 0.331846 Te\n0.333355 0.666708 0.231654 Te\n0.333317 0.666631 0.469707 Mo\n0.666688 0.333374 0.281759 Mo\n0.333315 0.666627 0.093937 W\n0.666687 0.333373 0.657525 W\n0.333352 0.666701 0.701535 Se\n0.666648 0.333293 0.425774 Se\n0.666647 0.333292 0.513661 Se\n0.333355 0.666708 0.613334 Se\n0.666647 0.333291 0.053888 S\n0.666648 0.333292 0.134126 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.383347034944604,
"density_atomic": 0.032562276278893264,
"volume": 368.52460489005654,
"volume_molar": 18.494225368094206,
"formula_full": "Te2 Mo2 W2 Se4 S2",
"formula_reduced": "TeMoWSe2S",
"formula_anonymous": "ABCDE2",
"energy_above_hull": 3.5276617333333338,
"spacegroup": 156
}
]
}