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=478",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=476",
"results": [
{
"id": "jvasp-36747",
"created_at": "2022-09-04T14:37:57.735553Z",
"updated_at": "2022-09-04T14:37:57.735570Z",
"structure_string": "Ba6 In2 N1 F1\n1.0\n0.000000 5.580304 5.580304\n5.580304 0.000000 5.580304\n5.580304 5.580304 0.000000\nBa In N F\n6 2 1 1\ndirect\n0.242683 0.757316 0.757316 Ba\n0.242683 0.757316 0.242683 Ba\n0.757316 0.242683 0.757316 Ba\n0.757316 0.757316 0.242683 Ba\n0.242683 0.242683 0.757316 Ba\n0.757316 0.242683 0.242683 Ba\n0.250000 0.250000 0.250000 In\n0.749999 0.749999 0.749999 In\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.500000 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"In",
"N",
"F"
],
"chemical_system": "Ba-F-In-N",
"density": 5.191782215807597,
"density_atomic": 0.028773747486627633,
"volume": 347.53901988774385,
"volume_molar": 20.92928897356433,
"formula_full": "Ba6 In2 N1 F1",
"formula_reduced": "Ba6In2NF",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.2049669292499999,
"spacegroup": 225
},
{
"id": "jvasp-50438",
"created_at": "2022-09-04T14:37:17.878484Z",
"updated_at": "2022-09-04T14:37:17.878499Z",
"structure_string": "Li6 Sb2 S8\n1.0\n6.417641 0.000000 0.000000\n0.000000 6.825544 0.000000\n0.000000 0.000000 7.933875\nLi Sb S\n6 2 8\ndirect\n0.498039 0.843803 0.000000 Li\n0.002940 0.672618 0.246451 Li\n0.502939 0.327382 0.253549 Li\n0.998039 0.156196 0.500000 Li\n0.502939 0.327382 0.746451 Li\n0.002940 0.672618 0.753549 Li\n0.005320 0.170870 0.000000 Sb\n0.505319 0.829129 0.500000 Sb\n0.879618 0.843947 0.000000 S\n0.376057 0.179547 0.000000 S\n0.881993 0.334962 0.244705 S\n0.381993 0.665038 0.255296 S\n0.876057 0.820453 0.500000 S\n0.379618 0.156053 0.500000 S\n0.381993 0.665038 0.744705 S\n0.881993 0.334962 0.755296 S\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Sb",
"S"
],
"chemical_system": "Li-S-Sb",
"density": 2.5882049600073,
"density_atomic": 0.04603858202805466,
"volume": 347.5345958798218,
"volume_molar": 13.080639095987518,
"formula_full": "Li6 Sb2 S8",
"formula_reduced": "Li3SbS4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.5227357625000002,
"spacegroup": 31
},
{
"id": "jvasp-29574",
"created_at": "2022-09-04T14:37:33.330051Z",
"updated_at": "2022-09-04T14:37:33.330076Z",
"structure_string": "Bi2 I6\n1.0\n7.575909 -0.000000 -0.000000\n-3.787954 6.560930 -0.000000\n0.000000 0.000000 6.991033\nBi I\n2 6\ndirect\n0.666667 0.333333 0.000000 Bi\n0.333333 0.666667 0.000000 Bi\n0.331332 0.000000 0.740605 I\n0.000000 0.331332 0.740605 I\n0.000000 0.668668 0.259395 I\n0.668668 0.668668 0.740605 I\n0.668668 0.000000 0.259395 I\n0.331332 0.331332 0.259395 I\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Bi",
"I"
],
"chemical_system": "Bi-I",
"density": 5.635911390997023,
"density_atomic": 0.023022287935632563,
"volume": 347.48935563515664,
"volume_molar": 26.157872652957657,
"formula_full": "Bi2 I6",
"formula_reduced": "BiI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0008775,
"spacegroup": 162
},
{
"id": "jvasp-10113",
"created_at": "2022-09-04T14:38:35.330046Z",
"updated_at": "2022-09-04T14:38:35.330069Z",
"structure_string": "Sm4 Sn2 S10\n1.0\n3.883157 0.000000 0.000000\n0.000000 7.807678 0.000000\n0.000000 -0.000000 11.459367\nSm Sn S\n4 2 10\ndirect\n0.500000 0.536342 0.172597 Sm\n0.500000 0.463658 0.827403 Sm\n0.500000 0.036342 0.327403 Sm\n0.500000 0.963658 0.672597 Sm\n0.000000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.500000 0.673569 0.407476 S\n0.500000 0.326432 0.592524 S\n0.500000 0.173568 0.092524 S\n0.500000 0.826432 0.907476 S\n0.000000 0.827642 0.196142 S\n0.000000 0.172359 0.803858 S\n0.000000 0.500000 0.000000 S\n0.000000 0.000000 0.500000 S\n0.000000 0.672359 0.696142 S\n0.000000 0.327642 0.303858 S\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sm",
"Sn",
"S"
],
"chemical_system": "S-Sm-Sn",
"density": 5.5418673146915465,
"density_atomic": 0.0460524256678756,
"volume": 347.4301248622607,
"volume_molar": 13.076706976155684,
"formula_full": "Sm4 Sn2 S10",
"formula_reduced": "Sm2SnS5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 1.68637868125,
"spacegroup": 55
},
{
"id": "jvasp-48318",
"created_at": "2022-09-04T14:36:18.400703Z",
"updated_at": "2022-09-04T14:36:18.400731Z",
"structure_string": "K4 Co8 O16\n1.0\n4.926186 -0.001232 -0.001718\n0.001423 5.680576 -0.000052\n0.004324 0.000157 12.413227\nK Co O\n4 8 16\ndirect\n0.958568 0.000122 0.250005 K\n0.636551 0.999935 0.749990 K\n0.363461 0.500073 0.249988 K\n0.041445 0.499886 0.750005 K\n0.500052 0.749994 0.000000 Co\n0.499962 0.750015 0.500000 Co\n0.000049 0.499991 0.001682 Co\n-0.000031 0.500010 0.498319 Co\n0.500050 0.249990 0.000001 Co\n-0.000035 0.000017 0.501682 Co\n0.000044 -0.000002 0.998319 Co\n0.499964 0.250018 0.500001 Co\n0.668567 0.500010 0.422298 O\n0.166353 0.751465 0.078344 O\n0.166271 0.751485 0.421657 O\n0.334320 0.499996 0.924144 O\n0.334240 0.500017 0.575860 O\n0.668648 0.499987 0.077702 O\n0.833733 0.251458 0.921654 O\n0.665775 -0.000010 0.075860 O\n0.166365 0.248524 0.078347 O\n0.166281 0.248552 0.421654 O\n0.331447 -0.000000 0.922298 O\n0.331367 0.000020 0.577703 O\n0.833661 0.748542 0.578344 O\n0.665694 0.000014 0.424144 O\n0.833650 0.251483 0.578347 O\n0.833742 0.748526 0.921656 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"K",
"Co",
"O"
],
"chemical_system": "Co-K-O",
"density": 4.225122385663899,
"density_atomic": 0.0806065017720517,
"volume": 347.3665198767912,
"volume_molar": 7.471035992890622,
"formula_full": "K4 Co8 O16",
"formula_reduced": "K(CoO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.2879305428571426,
"spacegroup": 59
},
{
"id": "jvasp-95420",
"created_at": "2022-09-04T14:36:07.061710Z",
"updated_at": "2022-09-04T14:36:07.061730Z",
"structure_string": "Na8 Te4 O12\n1.0\n4.938864 0.003702 0.000000\n-0.193363 6.864796 0.000000\n0.000000 0.000000 10.243247\nNa Te O\n8 4 12\ndirect\n0.744313 0.902732 0.253855 Na\n0.255688 0.597269 0.753856 Na\n0.255687 0.097268 0.746145 Na\n0.744312 0.402731 0.246145 Na\n0.246105 0.138373 0.413423 Na\n0.753894 0.361627 0.913423 Na\n0.753895 0.861628 0.586578 Na\n0.246105 0.638373 0.086578 Na\n0.261038 0.164196 0.082551 Te\n0.738962 0.835804 0.917449 Te\n0.738962 0.335804 0.582551 Te\n0.261038 0.664196 0.417449 Te\n0.353632 0.853490 0.906166 O\n0.231573 0.353887 0.219079 O\n0.768427 0.146113 0.719079 O\n0.768427 0.646113 0.780921 O\n0.231573 0.853887 0.280921 O\n0.752086 0.163151 0.436548 O\n0.247913 0.336849 0.936548 O\n0.247913 0.836849 0.563453 O\n0.752087 0.663151 0.063452 O\n0.646368 0.146510 0.093835 O\n0.353631 0.353490 0.593835 O\n0.646368 0.646510 0.406166 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Na",
"Te",
"O"
],
"chemical_system": "Na-O-Te",
"density": 4.237734038323906,
"density_atomic": 0.06910504021812247,
"volume": 347.2973885008479,
"volume_molar": 8.714473996385465,
"formula_full": "Na8 Te4 O12",
"formula_reduced": "Na2TeO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.968949377777778,
"spacegroup": 14
},
{
"id": "jvasp-110701",
"created_at": "2022-09-04T14:38:37.417871Z",
"updated_at": "2022-09-04T14:38:37.417885Z",
"structure_string": "Rb2 Sb1 Au1 Br6\n1.0\n6.832795 -0.000000 3.944916\n2.277598 6.442021 3.944916\n-0.000000 -0.000000 7.889832\nRb Sb Au Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sb\n0.500001 0.500000 0.500000 Au\n0.748290 0.251710 0.251711 Br\n0.251711 0.251710 0.748290 Br\n0.251711 0.748290 0.748290 Br\n0.251711 0.748290 0.251711 Br\n0.748290 0.251710 0.748290 Br\n0.748290 0.748290 0.251711 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Sb",
"Au",
"Br"
],
"chemical_system": "Au-Br-Rb-Sb",
"density": 4.6336498204150285,
"density_atomic": 0.028794644226040153,
"volume": 347.28680519541194,
"volume_molar": 20.9141002497747,
"formula_full": "Rb2 Sb1 Au1 Br6",
"formula_reduced": "Rb2SbAuBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-91357",
"created_at": "2022-09-04T14:35:55.902593Z",
"updated_at": "2022-09-04T14:35:55.902608Z",
"structure_string": "Sm4 Sb8\n1.0\n4.377712 -0.005847 0.000000\n-0.091801 4.376753 -0.000000\n-0.000000 0.000000 18.125213\nSm Sb\n4 8\ndirect\n0.643823 0.643823 0.610473 Sm\n0.856177 0.856175 0.110473 Sm\n0.143823 0.143823 0.889526 Sm\n0.356177 0.356176 0.389527 Sm\n0.873179 0.373179 0.250000 Sb\n0.626820 0.126820 0.750000 Sb\n0.126821 0.626820 0.750000 Sb\n0.373180 0.873179 0.250000 Sb\n0.860204 0.860203 0.436059 Sb\n0.639795 0.639795 0.936059 Sb\n0.360204 0.360204 0.063941 Sb\n0.139795 0.139795 0.563941 Sb\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Sm",
"Sb"
],
"chemical_system": "Sb-Sm",
"density": 7.533604915694296,
"density_atomic": 0.034555013644930445,
"volume": 347.2723270581176,
"volume_molar": 17.427690296639508,
"formula_full": "Sm4 Sb8",
"formula_reduced": "SmSb2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.136373691666667,
"spacegroup": 64
},
{
"id": "jvasp-112190",
"created_at": "2022-09-04T14:38:46.351754Z",
"updated_at": "2022-09-04T14:38:46.351775Z",
"structure_string": "Sn2 H24 C12 F4\n1.0\n4.265156 0.005168 0.164611\n1.949046 4.347109 0.235991\n0.419781 0.106698 18.758465\nSn H C F\n2 24 12 4\ndirect\n0.195542 0.753246 0.470174 Sn\n0.455218 0.475589 0.968704 Sn\n0.213516 0.391614 0.097502 H\n0.484786 0.589007 0.100074 H\n0.006523 0.064100 0.089594 H\n0.719137 0.886103 0.101113 H\n0.701033 0.918077 0.612313 H\n0.492811 0.574873 0.595360 H\n0.189267 0.410786 0.589048 H\n0.266212 0.812591 0.717939 H\n-0.017561 0.628584 0.725608 H\n0.753266 0.329637 0.720435 H\n0.478367 0.139509 0.734077 H\n0.978728 0.105334 0.607352 H\n0.494719 0.156519 0.218258 H\n-0.213967 0.330264 0.205069 H\n0.746354 -0.029178 0.336836 H\n0.056858 0.121027 0.319342 H\n0.221965 0.434818 0.357574 H\n0.033960 0.092092 0.837377 H\n0.533843 0.594282 0.343830 H\n0.753297 0.908199 0.851874 H\n0.241891 0.426415 0.844897 H\n0.528711 0.610333 0.833178 H\n-0.017553 0.636681 0.229655 H\n0.281372 0.802080 0.211838 H\n0.004659 0.842463 0.705850 C\n0.754737 0.092902 0.113816 C\n0.227790 0.624487 0.582224 C\n0.962525 0.886756 0.624788 C\n0.470251 0.380163 0.081981 C\n0.739008 0.118050 0.744634 C\n0.776107 0.112026 0.825687 C\n0.009609 0.912529 0.314791 C\n0.022949 0.847928 0.235349 C\n0.500602 0.403824 0.856182 C\n0.264409 0.645878 0.359277 C\n0.751791 0.119307 0.194993 C\n-0.088519 0.573259 0.970275 F\n0.650732 0.852148 0.470851 F\n0.981719 0.220737 0.468606 F\n0.249395 -0.054620 0.966420 F\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"F"
],
"chemical_system": "C-F-H-Sn",
"density": 2.3036933700041873,
"density_atomic": 0.12095361498611258,
"volume": 347.2405517174685,
"volume_molar": 4.978884476244417,
"formula_full": "Sn2 H24 C12 F4",
"formula_reduced": "SnH12(C3F)2",
"formula_anonymous": "AB2C6D12",
"energy_above_hull": 4.036138203095239,
"spacegroup": 1
},
{
"id": "jvasp-122002",
"created_at": "2022-09-04T14:38:54.098552Z",
"updated_at": "2022-09-04T14:38:54.098569Z",
"structure_string": "Nb6 Ni2 S12\n1.0\n5.820392 0.000000 0.000000\n-2.910196 5.040608 0.000000\n0.000000 0.000000 11.835370\nNb Ni S\n6 2 12\ndirect\n0.000000 0.000000 0.000000 Nb\n0.000000 0.000000 0.500000 Nb\n0.333333 0.666667 0.502317 Nb\n0.666666 0.333333 0.002317 Nb\n0.666666 0.333333 0.497683 Nb\n0.333333 0.666667 0.997683 Nb\n0.333333 0.666667 0.250000 Ni\n0.666666 0.333333 0.750000 Ni\n0.668436 0.000987 0.366533 S\n0.331563 0.332552 0.633467 S\n-0.000987 0.667449 0.366533 S\n0.331563 -0.000987 0.866533 S\n0.000987 0.668437 0.633467 S\n-0.000987 0.331564 0.133467 S\n0.000987 0.332552 0.866533 S\n0.667448 -0.000987 0.633467 S\n0.667448 0.668437 0.866533 S\n0.332551 0.000987 0.133467 S\n0.668436 0.667449 0.133467 S\n0.332551 0.331564 0.366533 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Nb",
"Ni",
"S"
],
"chemical_system": "Nb-Ni-S",
"density": 5.067294324673723,
"density_atomic": 0.05759874179931257,
"volume": 347.2298070274635,
"volume_molar": 10.45533386993511,
"formula_full": "Nb6 Ni2 S12",
"formula_reduced": "Nb3NiS6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 3.35195106,
"spacegroup": 182
},
{
"id": "jvasp-86791",
"created_at": "2022-09-04T14:35:49.426951Z",
"updated_at": "2022-09-04T14:35:49.426969Z",
"structure_string": "Rb1 Cd1 Ag3 C6 N6\n1.0\n6.873339 0.000000 0.000000\n-3.436670 5.952486 -0.000000\n-0.000000 0.000000 8.486904\nRb Cd Ag C N\n1 1 3 6 6\ndirect\n0.333333 0.666667 0.000000 Rb\n0.000000 0.000000 0.000000 Cd\n0.508212 0.016423 0.500000 Ag\n0.508212 0.491789 0.500000 Ag\n0.983577 0.491789 0.500000 Ag\n0.986589 0.344168 0.291909 C\n0.357579 0.344168 0.708090 C\n0.986589 0.642422 0.708090 C\n0.655832 0.642422 0.291909 C\n0.655832 0.013411 0.708090 C\n0.357579 0.013411 0.291909 C\n0.990499 0.262458 0.172095 N\n0.737542 0.728041 0.172095 N\n0.737542 0.009502 0.827904 N\n0.271960 0.262458 0.827904 N\n0.271960 0.009502 0.172095 N\n0.990499 0.728041 0.827904 N\n",
"nsites": 17,
"nelements": 5,
"elements": [
"Rb",
"Cd",
"Ag",
"C",
"N"
],
"chemical_system": "Ag-C-Cd-N-Rb",
"density": 3.2404045908559693,
"density_atomic": 0.048959106661584685,
"volume": 347.2285578555888,
"volume_molar": 12.300348537047995,
"formula_full": "Rb1 Cd1 Ag3 C6 N6",
"formula_reduced": "RbCdAg3(CN)6",
"formula_anonymous": "ABC3D6E6",
"energy_above_hull": 4.690198295882353,
"spacegroup": 149
},
{
"id": "jvasp-40685",
"created_at": "2022-09-04T14:38:04.991256Z",
"updated_at": "2022-09-04T14:38:04.991289Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n5.043181 0.000000 0.000000\n0.000000 6.068328 0.000000\n0.000000 0.000000 11.345283\nLi Mn P O\n4 4 4 16\ndirect\n0.753013 0.472528 0.176292 Li\n0.253013 0.972528 0.323707 Li\n0.753013 0.027472 0.676292 Li\n0.253013 0.527473 0.823707 Li\n0.259364 0.225782 0.078110 Mn\n0.759364 0.725782 0.421890 Mn\n0.259364 0.274218 0.578110 Mn\n0.759364 0.774218 0.921890 Mn\n0.248303 0.031118 0.828784 P\n0.748303 0.531118 0.671216 P\n0.248303 0.468882 0.328784 P\n0.748303 0.968882 0.171216 P\n0.867947 0.549414 0.796613 O\n0.942822 0.011912 0.822831 O\n0.442822 0.511912 0.677169 O\n0.367947 0.049413 0.703387 O\n0.860430 0.320632 0.609655 O\n0.822270 0.739794 0.597295 O\n0.322270 0.260206 0.402704 O\n0.860430 0.179368 0.109655 O\n0.867947 0.950587 0.296613 O\n0.942822 0.488088 0.322831 O\n0.442822 -0.011912 0.177169 O\n0.367947 0.450587 0.203387 O\n0.360430 0.820633 0.890345 O\n0.822270 0.760206 0.097296 O\n0.360430 0.679368 0.390345 O\n0.322270 0.239794 0.902704 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.000584096235825,
"density_atomic": 0.08064344938037603,
"volume": 347.2073704081114,
"volume_molar": 7.467613062525377,
"formula_full": "Li4 Mn4 P4 O16",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.550640963054187,
"spacegroup": 33
}
]
}