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=278",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=276",
"results": [
{
"id": "jvasp-86155",
"created_at": "2022-09-04T14:35:55.407323Z",
"updated_at": "2022-09-04T14:35:55.407352Z",
"structure_string": "Tc4 Br12\n1.0\n11.285321 0.000000 0.000000\n0.000000 5.922743 0.000000\n0.000000 0.000000 6.532235\nTc Br\n4 12\ndirect\n0.250000 0.030186 0.239249 Tc\n0.250000 0.469814 0.239249 Tc\n0.750000 0.530185 0.760752 Tc\n0.750000 0.969814 0.760752 Tc\n0.750000 0.749999 0.093357 Br\n0.099504 0.749999 0.089092 Br\n0.400496 0.749999 0.089092 Br\n0.082552 0.249999 0.404024 Br\n0.417448 0.249999 0.404024 Br\n0.750000 0.249999 0.459949 Br\n0.250000 0.749999 0.540052 Br\n0.582552 0.749999 0.595976 Br\n0.917448 0.749999 0.595976 Br\n0.599504 0.249999 0.910909 Br\n0.900496 0.249999 0.910909 Br\n0.250000 0.249999 0.906643 Br\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Tc",
"Br"
],
"chemical_system": "Br-Tc",
"density": 5.13756082347863,
"density_atomic": 0.036645561250700856,
"volume": 436.61495291449506,
"volume_molar": 16.433479402324135,
"formula_full": "Tc4 Br12",
"formula_reduced": "TcBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.2034434537499998,
"spacegroup": 59
},
{
"id": "jvasp-23897",
"created_at": "2022-09-04T14:37:39.366085Z",
"updated_at": "2022-09-04T14:37:39.366112Z",
"structure_string": "Yb8 Bi6\n1.0\n7.804071 -0.000000 -2.759155\n-3.902035 6.758524 -2.759155\n-0.000000 -0.000000 8.277467\nYb Bi\n8 6\ndirect\n0.151044 0.151044 0.151044 Yb\n0.848955 0.500000 -0.000001 Yb\n-0.000001 0.848956 0.499999 Yb\n0.500000 0.000000 0.848956 Yb\n-0.000000 0.348956 0.500000 Yb\n0.500000 0.000000 0.348956 Yb\n0.348956 0.500000 -0.000001 Yb\n0.651043 0.651044 0.651043 Yb\n0.249999 0.625000 0.374999 Bi\n0.375000 0.250000 0.625000 Bi\n0.124999 0.750000 0.874999 Bi\n0.875000 0.125000 0.750000 Bi\n0.625000 0.375000 0.249999 Bi\n0.749999 0.875000 0.124999 Bi\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Yb",
"Bi"
],
"chemical_system": "Bi-Yb",
"density": 10.034290691937489,
"density_atomic": 0.03206693898553164,
"volume": 436.58672897705316,
"volume_molar": 18.779905256055606,
"formula_full": "Yb8 Bi6",
"formula_reduced": "Yb4Bi3",
"formula_anonymous": "A3B4",
"energy_above_hull": 0.0,
"spacegroup": 220
},
{
"id": "jvasp-33840",
"created_at": "2022-09-04T14:38:04.997361Z",
"updated_at": "2022-09-04T14:38:04.997379Z",
"structure_string": "Tc4 Br12\n1.0\n11.283954 0.000000 0.000000\n0.000000 5.923411 0.000000\n0.000000 -0.000000 6.531657\nTc Br\n4 12\ndirect\n0.250000 0.030185 0.238939 Tc\n0.250000 0.469815 0.238939 Tc\n0.750000 0.530185 0.761062 Tc\n0.750000 0.969815 0.761062 Tc\n0.750000 0.749999 0.093687 Br\n0.099499 0.749999 0.088807 Br\n0.400500 0.749999 0.088807 Br\n0.082531 0.249999 0.403708 Br\n0.417469 0.249999 0.403708 Br\n0.750000 0.249999 0.460252 Br\n0.250000 0.749999 0.539748 Br\n0.582531 0.749999 0.596291 Br\n0.917468 0.749999 0.596291 Br\n0.599499 0.249999 0.911195 Br\n0.900500 0.249999 0.911195 Br\n0.250000 0.249999 0.906314 Br\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Tc",
"Br"
],
"chemical_system": "Br-Tc",
"density": 5.138058405434397,
"density_atomic": 0.03664911043885917,
"volume": 436.57267007046227,
"volume_molar": 16.43188794458352,
"formula_full": "Tc4 Br12",
"formula_reduced": "TcBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.2034434537499998,
"spacegroup": 59
},
{
"id": "jvasp-25781",
"created_at": "2022-09-04T14:38:14.548804Z",
"updated_at": "2022-09-04T14:38:14.548821Z",
"structure_string": "Ba6 Lu2 Ir4 O18\n1.0\n2.944247 -5.099584 -0.000000\n2.944247 5.099584 -0.000000\n-0.000000 0.000000 14.537173\nBa Lu Ir O\n6 2 4 18\ndirect\n0.333334 0.666667 0.090890 Ba\n0.666667 0.333334 0.590890 Ba\n0.333334 0.666667 0.409110 Ba\n0.000000 0.000000 0.250000 Ba\n0.666667 0.333334 0.909110 Ba\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.000000 Lu\n0.000000 0.000000 0.500000 Lu\n0.333334 0.666667 0.837163 Ir\n0.666667 0.333334 0.162837 Ir\n0.666667 0.333334 0.337163 Ir\n0.333334 0.666667 0.662837 Ir\n0.507707 0.492294 0.250000 O\n0.652070 0.826036 0.584825 O\n0.826036 0.652070 0.415175 O\n0.173965 0.347931 0.584825 O\n0.015413 0.507706 0.750000 O\n0.173966 0.826035 0.915175 O\n0.492294 0.507707 0.750000 O\n0.347931 0.173965 0.084825 O\n0.652070 0.826036 0.915175 O\n0.173965 0.347931 0.915175 O\n0.492295 0.984588 0.750000 O\n0.347931 0.173965 0.415175 O\n0.984588 0.492295 0.250000 O\n0.826036 0.652070 0.084825 O\n0.826035 0.173966 0.084825 O\n0.826035 0.173966 0.415175 O\n0.173966 0.826035 0.584825 O\n0.507706 0.015413 0.250000 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ba",
"Lu",
"Ir",
"O"
],
"chemical_system": "Ba-Ir-Lu-O",
"density": 8.485582820519486,
"density_atomic": 0.06872303156637727,
"volume": 436.5348750807654,
"volume_molar": 8.76291488128462,
"formula_full": "Ba6 Lu2 Ir4 O18",
"formula_reduced": "Ba3LuIr2O9",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 2.453953824,
"spacegroup": 194
},
{
"id": "jvasp-87885",
"created_at": "2022-09-04T14:35:42.025051Z",
"updated_at": "2022-09-04T14:35:42.025082Z",
"structure_string": "Ba4 Ho8 O16\n1.0\n3.455065 0.000000 0.000000\n-0.000000 10.427648 0.000000\n0.000000 0.000000 12.116276\nBa Ho O\n4 8 16\ndirect\n0.250000 0.252852 0.850411 Ba\n0.749999 0.747149 0.149589 Ba\n0.250000 0.752852 0.649589 Ba\n0.749999 0.247148 0.350411 Ba\n0.250000 0.925823 0.889401 Ho\n0.250000 0.425823 0.610600 Ho\n0.749999 0.574177 0.389401 Ho\n0.749999 0.577504 0.891063 Ho\n0.250000 0.422496 0.108937 Ho\n0.749999 0.077504 0.608937 Ho\n0.250000 0.922496 0.391063 Ho\n0.749999 0.074177 0.110599 Ho\n0.250000 0.710053 0.341928 O\n0.749999 0.289947 0.658072 O\n0.250000 0.930360 0.074424 O\n0.749999 0.884748 0.517476 O\n0.250000 0.115252 0.482525 O\n0.749999 0.384748 0.982525 O\n0.250000 0.615252 0.017475 O\n0.749999 0.481814 0.217550 O\n0.250000 0.518187 0.782450 O\n0.749999 0.981814 0.282450 O\n0.250000 0.018186 0.717551 O\n0.749999 0.569641 0.574424 O\n0.250000 0.430360 0.425576 O\n0.749999 0.069640 0.925576 O\n0.749999 0.789948 0.841929 O\n0.250000 0.210053 0.158072 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ba",
"Ho",
"O"
],
"chemical_system": "Ba-Ho-O",
"density": 8.082455929618591,
"density_atomic": 0.06414255998159188,
"volume": 436.52763481899774,
"volume_molar": 9.388681651821004,
"formula_full": "Ba4 Ho8 O16",
"formula_reduced": "BaHo2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.4773530147619045,
"spacegroup": 62
},
{
"id": "jvasp-55597",
"created_at": "2022-09-04T14:37:11.486628Z",
"updated_at": "2022-09-04T14:37:11.486646Z",
"structure_string": "In2 Ag2 P4 S12\n1.0\n3.116641 -5.398180 -0.000000\n3.116641 5.398180 -0.000000\n0.000000 0.000000 12.973209\nIn Ag P S\n2 2 4 12\ndirect\n-0.000000 -0.000000 0.250000 In\n-0.000000 -0.000000 0.750000 In\n0.666667 0.333333 0.250000 Ag\n0.333333 0.666667 0.750000 Ag\n0.666667 0.333333 0.662363 P\n0.666667 0.333333 0.837637 P\n0.333333 0.666667 0.337637 P\n0.333333 0.666667 0.162363 P\n0.319373 0.974665 0.381697 S\n0.025334 0.344706 0.381697 S\n0.655293 0.680627 0.381697 S\n0.025334 0.680627 0.118303 S\n0.655293 0.974665 0.118303 S\n0.344706 0.319373 0.618303 S\n0.680627 0.025334 0.618303 S\n0.974665 0.655293 0.618303 S\n0.680627 0.655293 0.881697 S\n0.974665 0.319373 0.881697 S\n0.319373 0.344706 0.118303 S\n0.344706 0.025334 0.881697 S\n",
"nsites": 20,
"nelements": 4,
"elements": [
"In",
"Ag",
"P",
"S"
],
"chemical_system": "Ag-In-P-S",
"density": 3.6291717354831388,
"density_atomic": 0.04581613437919013,
"volume": 436.5274432468069,
"volume_molar": 13.144148544175913,
"formula_full": "In2 Ag2 P4 S12",
"formula_reduced": "InAg(PS3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.947883823,
"spacegroup": 163
},
{
"id": "jvasp-5146",
"created_at": "2022-09-04T14:37:34.427277Z",
"updated_at": "2022-09-04T14:37:34.427303Z",
"structure_string": "In2 Ag2 P4 S12\n1.0\n3.116642 -5.398182 0.000000\n3.116642 5.398182 0.000000\n-0.000000 0.000000 12.973197\nIn Ag P S\n2 2 4 12\ndirect\n0.000000 0.000000 0.250000 In\n0.000000 0.000000 0.750000 In\n0.666667 0.333333 0.250000 Ag\n0.333333 0.666667 0.750000 Ag\n0.666667 0.333333 0.662364 P\n0.666667 0.333333 0.837637 P\n0.333333 0.666667 0.337637 P\n0.333333 0.666667 0.162363 P\n0.319373 0.974665 0.381698 S\n0.025334 0.344706 0.381698 S\n0.655293 0.680626 0.381698 S\n0.025334 0.680626 0.118303 S\n0.655293 0.974665 0.118303 S\n0.344706 0.319373 0.618303 S\n0.680626 0.025334 0.618303 S\n0.974665 0.655293 0.618303 S\n0.680626 0.655293 0.881698 S\n0.974665 0.319373 0.881698 S\n0.319373 0.344706 0.118303 S\n0.344706 0.025334 0.881698 S\n",
"nsites": 20,
"nelements": 4,
"elements": [
"In",
"Ag",
"P",
"S"
],
"chemical_system": "Ag-In-P-S",
"density": 3.629172583367431,
"density_atomic": 0.045816145083224964,
"volume": 436.527341260816,
"volume_molar": 13.144145473305947,
"formula_full": "In2 Ag2 P4 S12",
"formula_reduced": "InAg(PS3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.947883823,
"spacegroup": 163
},
{
"id": "jvasp-52553",
"created_at": "2022-09-04T14:36:05.923119Z",
"updated_at": "2022-09-04T14:36:05.923144Z",
"structure_string": "K8 Sn4 O8\n1.0\n7.221689 -0.015557 0.005855\n-3.574663 -6.529103 -0.021460\n-3.321774 0.951235 -9.242394\nK Sn O\n8 4 8\ndirect\n0.390477 0.428234 0.135743 K\n0.935657 0.453833 0.174213 K\n0.930676 0.935780 0.185475 K\n0.241517 0.742755 0.509443 K\n0.758483 0.257244 0.490556 K\n0.069325 0.064219 0.814524 K\n0.064344 0.546166 0.825786 K\n0.609523 0.571765 0.864256 K\n0.602063 0.055515 0.872064 Sn\n0.303319 0.291370 0.525890 Sn\n0.696682 0.708629 0.474109 Sn\n0.397937 0.944484 0.127935 Sn\n0.064416 0.784878 0.018088 O\n0.504766 0.807635 0.009284 O\n0.340777 0.517485 0.374102 O\n0.803362 0.599323 0.350152 O\n0.196638 0.400676 0.649847 O\n0.659224 0.482514 0.625897 O\n0.495234 0.192364 0.990715 O\n0.935584 0.215121 0.981911 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"K",
"Sn",
"O"
],
"chemical_system": "K-O-Sn",
"density": 3.484793216171308,
"density_atomic": 0.04583971211367012,
"volume": 436.3029146083072,
"volume_molar": 13.13738782884743,
"formula_full": "K8 Sn4 O8",
"formula_reduced": "K2SnO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.4008769399999996,
"spacegroup": 2
},
{
"id": "jvasp-19105",
"created_at": "2022-09-04T14:37:05.454282Z",
"updated_at": "2022-09-04T14:37:05.454301Z",
"structure_string": "Na8 S8 O12\n1.0\n0.000000 6.389435 -0.028187\n8.096402 0.000000 0.000000\n0.000000 -1.041279 -8.429366\nNa S O\n8 8 12\ndirect\n0.876802 0.194544 0.452385 Na\n0.623197 0.694544 0.547617 Na\n0.296979 0.626054 0.083738 Na\n0.376802 0.305455 0.452384 Na\n0.796979 0.873946 0.083738 Na\n0.703020 0.373946 0.916263 Na\n0.203021 0.126054 0.916263 Na\n0.123197 0.805455 0.547616 Na\n0.700276 0.046727 0.733379 S\n0.528602 0.107393 0.209632 S\n0.471397 0.892606 0.790369 S\n0.971397 0.607393 0.790369 S\n0.299723 0.953272 0.266622 S\n0.200276 0.453272 0.733379 S\n0.799723 0.546727 0.266622 S\n0.028602 0.392607 0.209632 S\n0.163199 0.914255 0.116649 O\n0.663198 0.585744 0.116649 O\n0.820622 0.961802 0.617917 O\n0.320623 0.538198 0.617917 O\n0.179377 0.038198 0.382084 O\n0.389021 0.797224 0.336663 O\n0.679377 0.461802 0.382084 O\n0.110979 0.297224 0.663338 O\n0.610979 0.202776 0.663338 O\n0.836801 0.085744 0.883352 O\n0.336801 0.414256 0.883352 O\n0.889020 0.702776 0.336663 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Na",
"S",
"O"
],
"chemical_system": "Na-O-S",
"density": 2.4070004934811022,
"density_atomic": 0.06417590399250948,
"volume": 436.3008272274298,
"volume_molar": 9.383803554528651,
"formula_full": "Na8 S8 O12",
"formula_reduced": "Na2S2O3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 1.3468526428571428,
"spacegroup": 14
},
{
"id": "jvasp-98243",
"created_at": "2022-09-04T14:36:09.642809Z",
"updated_at": "2022-09-04T14:36:09.642845Z",
"structure_string": "Li2 Er2 P8 O24\n1.0\n6.436966 0.000232 2.783262\n2.211763 7.685141 3.720853\n0.003065 0.023232 8.829024\nLi Er P O\n2 2 8 24\ndirect\n0.293220 0.750010 0.249991 Li\n0.706781 0.249990 0.750008 Li\n0.796432 0.750000 0.249995 Er\n0.203569 0.249999 0.750004 Er\n0.688478 0.884820 0.841234 P\n0.311523 0.115179 0.158765 P\n0.001560 0.694767 0.597359 P\n0.293689 0.805233 0.902634 P\n0.706312 0.194766 0.097365 P\n0.414546 0.615174 0.658763 P\n0.998441 0.305233 0.402639 P\n0.585455 0.384826 0.341236 P\n0.329877 0.644554 0.845237 O\n0.986511 0.279838 0.584719 O\n0.986661 0.524030 0.735866 O\n0.148917 0.779842 0.084715 O\n0.167796 0.184434 0.042617 O\n0.819650 0.855451 0.654754 O\n0.783002 0.262443 0.424000 O\n0.436080 0.925177 0.201218 O\n0.753438 0.024025 0.235869 O\n0.216999 0.737556 0.575999 O\n0.013490 0.720161 0.415280 O\n0.246563 0.975975 0.764129 O\n0.530558 0.762439 0.924009 O\n0.013340 0.475970 0.264133 O\n0.670124 0.355445 0.154762 O\n0.563921 0.074822 0.798780 O\n0.394839 0.315572 0.457398 O\n0.832205 0.815565 0.957382 O\n0.562466 0.574821 0.298772 O\n0.180351 0.144549 0.345245 O\n0.437535 0.425178 0.701227 O\n0.851084 0.220157 0.915284 O\n0.469443 0.237560 0.075990 O\n0.605162 0.684427 0.542601 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Li",
"Er",
"P",
"O"
],
"chemical_system": "Er-Li-O-P",
"density": 3.730682683404029,
"density_atomic": 0.08251592735801043,
"volume": 436.2794087474461,
"volume_molar": 7.298155583796376,
"formula_full": "Li2 Er2 P8 O24",
"formula_reduced": "LiEr(PO3)4",
"formula_anonymous": "ABC4D12",
"energy_above_hull": 2.8518846666666664,
"spacegroup": 15
},
{
"id": "jvasp-22894",
"created_at": "2022-09-04T14:38:19.543485Z",
"updated_at": "2022-09-04T14:38:19.543495Z",
"structure_string": "Rb4 Si6 Sn2 O18\n1.0\n3.517550 -6.092576 -0.000000\n3.517550 6.092576 -0.000000\n-0.000000 0.000000 10.177131\nRb Si Sn O\n4 6 2 18\ndirect\n0.333333 0.666667 0.940538 Rb\n0.666667 0.333333 0.440538 Rb\n0.333333 0.666667 0.559462 Rb\n0.666667 0.333333 0.059462 Rb\n0.134370 0.751749 0.250000 Si\n0.248251 0.382622 0.250000 Si\n0.382622 0.134370 0.750000 Si\n0.865630 0.248251 0.750000 Si\n0.617378 0.865629 0.250000 Si\n0.751749 0.617378 0.750000 Si\n0.000000 0.000000 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.227447 0.255296 0.386181 O\n0.912473 0.506710 0.750000 O\n0.087527 0.493289 0.250000 O\n0.405762 0.912473 0.250000 O\n0.493289 0.405763 0.750000 O\n0.255296 0.027849 0.886181 O\n0.027849 0.772553 0.386181 O\n0.772553 0.744704 0.886181 O\n0.227447 0.255296 0.113819 O\n0.744704 0.972151 0.386181 O\n0.744704 0.972151 0.113819 O\n0.972151 0.227446 0.613819 O\n0.772553 0.744704 0.613819 O\n0.594238 0.087527 0.750000 O\n0.027849 0.772553 0.113819 O\n0.255296 0.027849 0.613819 O\n0.972151 0.227446 0.886181 O\n0.506711 0.594237 0.250000 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Rb",
"Si",
"Sn",
"O"
],
"chemical_system": "O-Rb-Si-Sn",
"density": 3.9429896913008946,
"density_atomic": 0.06877405941507868,
"volume": 436.2109820933809,
"volume_molar": 8.756413117413931,
"formula_full": "Rb4 Si6 Sn2 O18",
"formula_reduced": "Rb2Si3SnO9",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 2.2809066,
"spacegroup": 176
},
{
"id": "jvasp-26022",
"created_at": "2022-09-04T14:38:16.152889Z",
"updated_at": "2022-09-04T14:38:16.152914Z",
"structure_string": "Ba6 Yb2 Ru4 O18\n1.0\n2.962140 -5.130577 0.000000\n2.962140 5.130577 -0.000000\n-0.000000 -0.000000 14.350835\nYb Ba Ru O\n2 6 4 18\ndirect\n0.000000 0.000000 0.000000 Yb\n0.000000 0.000000 0.500000 Yb\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.750000 Ba\n0.333333 0.666667 0.908462 Ba\n0.666667 0.333333 0.408462 Ba\n0.666667 0.333333 0.091538 Ba\n0.333333 0.666667 0.591538 Ba\n0.333333 0.666667 0.336212 Ru\n0.666667 0.333333 0.836212 Ru\n0.666667 0.333333 0.663789 Ru\n0.333333 0.666667 0.163788 Ru\n0.642945 0.821472 0.089623 O\n0.357055 0.178528 0.589623 O\n0.821472 0.642945 0.910377 O\n0.821472 0.178528 0.589623 O\n0.821472 0.642945 0.589623 O\n0.178528 0.821472 0.410377 O\n0.642945 0.821472 0.410377 O\n0.357055 0.178528 0.910377 O\n0.984230 0.492115 0.750000 O\n0.178528 0.357055 0.410377 O\n0.507885 0.015770 0.750000 O\n0.492115 0.507885 0.250000 O\n0.015770 0.507885 0.250000 O\n0.178528 0.357055 0.089623 O\n0.507885 0.492115 0.750000 O\n0.492115 0.984230 0.250000 O\n0.821472 0.178528 0.910377 O\n0.178528 0.821472 0.089623 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Yb",
"Ba",
"Ru",
"O"
],
"chemical_system": "Ba-O-Ru-Yb",
"density": 7.089610813672774,
"density_atomic": 0.06877685255016981,
"volume": 436.1932668860685,
"volume_molar": 8.756057505840504,
"formula_full": "Ba6 Yb2 Ru4 O18",
"formula_reduced": "Ba3YbRu2O9",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 2.256565407333333,
"spacegroup": 194
}
]
}