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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4496",
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"results": [
{
"id": "jvasp-119694",
"created_at": "2022-09-04T14:38:36.837384Z",
"updated_at": "2022-09-04T14:38:36.837401Z",
"structure_string": "Li4 Mn2 Co2 O8\n1.0\n4.944620 0.073680 -0.182057\n-0.918849 4.729979 -1.227666\n0.213817 -0.206145 5.701328\nLi Mn Co O\n4 2 2 8\ndirect\n0.750001 0.500037 0.124959 Li\n0.750000 0.499982 0.624986 Li\n0.253863 0.493915 0.369050 Li\n0.246124 0.506085 0.880991 Li\n0.499779 -0.000052 0.749661 Mn\n0.000219 0.000052 0.500340 Mn\n-0.000200 0.000098 0.000762 Co\n0.500211 -0.000097 0.249242 Co\n0.870923 0.226932 0.805566 O\n0.629075 0.773078 0.444433 O\n0.873428 0.221182 0.307967 O\n0.626569 0.778813 0.942030 O\n0.373333 0.221708 0.052869 O\n0.126682 0.778288 0.197130 O\n0.371084 0.226158 0.557876 O\n0.128916 0.773829 0.692130 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.80229687426271,
"density_atomic": 0.12065702662105568,
"volume": 132.60727906258435,
"volume_molar": 4.9911231269717735,
"formula_full": "Li4 Mn2 Co2 O8",
"formula_reduced": "Li2MnCoO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.469319017672414,
"spacegroup": 2
},
{
"id": "jvasp-119657",
"created_at": "2022-09-04T14:38:36.651844Z",
"updated_at": "2022-09-04T14:38:36.651870Z",
"structure_string": "K1 Mn8 O16\n1.0\n5.594076 0.000643 -1.164991\n-1.401186 6.925089 0.289671\n0.013291 0.006060 7.073831\nK Mn O\n1 8 16\ndirect\n0.000000 0.000000 0.000000 K\n0.575255 0.818875 0.481713 Mn\n0.075783 0.818267 0.485138 Mn\n0.924216 0.181733 0.514862 Mn\n0.424745 0.181125 0.518287 Mn\n0.166978 0.485426 0.181710 Mn\n0.665571 0.481817 0.181095 Mn\n0.334429 0.518183 0.818905 Mn\n0.833022 0.514574 0.818290 Mn\n0.167150 0.291333 0.374842 O\n0.667392 0.293784 0.378213 O\n0.021710 0.374770 0.708831 O\n0.520182 0.377274 0.707127 O\n0.479818 0.622726 0.292873 O\n0.978290 0.625230 0.291168 O\n0.349411 0.356139 0.046259 O\n0.326456 0.953977 0.356091 O\n0.148446 0.645021 0.953220 O\n0.650589 0.643861 0.953741 O\n0.832850 0.708666 0.625158 O\n0.828243 0.953683 0.355031 O\n0.171757 0.046317 0.644969 O\n0.673544 0.046023 0.643909 O\n0.851554 0.354978 0.046780 O\n0.332608 0.706216 0.621787 O\n",
"nsites": 25,
"nelements": 3,
"elements": [
"K",
"Mn",
"O"
],
"chemical_system": "K-Mn-O",
"density": 4.449460965115372,
"density_atomic": 0.09119089774449439,
"volume": 274.1501686938855,
"volume_molar": 6.603883621009295,
"formula_full": "K1 Mn8 O16",
"formula_reduced": "KMn8O16",
"formula_anonymous": "AB8C16",
"energy_above_hull": 3.580302477241379,
"spacegroup": 2
},
{
"id": "jvasp-119704",
"created_at": "2022-09-04T14:38:36.844203Z",
"updated_at": "2022-09-04T14:38:36.844230Z",
"structure_string": "Co2 P2 O8 F2\n1.0\n4.818226 -0.095904 -1.476706\n-1.148590 4.527606 -1.578502\n0.042640 0.007834 6.908938\nCo P O F\n2 2 8 2\ndirect\n0.000000 0.000000 0.000000 Co\n-0.000000 -0.000000 0.500000 Co\n0.354404 0.682772 0.236087 P\n0.645597 0.317229 0.763914 P\n0.660738 0.086793 0.872414 O\n0.785539 0.630021 0.947524 O\n0.784534 0.260565 0.586877 O\n0.328681 0.313475 0.658397 O\n0.214462 0.369980 0.052477 O\n0.215467 0.739436 0.413123 O\n0.671320 0.686526 0.341604 O\n0.339263 0.913208 0.127586 O\n0.049260 0.864010 0.730791 F\n0.950741 0.135991 0.269209 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Co",
"P",
"O",
"F"
],
"chemical_system": "Co-F-O-P",
"density": 3.819960250357787,
"density_atomic": 0.09313337848362915,
"volume": 150.3220459511291,
"volume_molar": 6.466146571777768,
"formula_full": "Co2 P2 O8 F2",
"formula_reduced": "CoPO4F",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.328647240357143,
"spacegroup": 2
},
{
"id": "jvasp-120434",
"created_at": "2022-09-04T14:38:37.416850Z",
"updated_at": "2022-09-04T14:38:37.416870Z",
"structure_string": "Y6 Ni1 I10\n1.0\n7.524430 -0.023530 -0.933395\n-2.834599 8.633038 -2.854712\n-0.009466 -0.026503 9.534660\nY Ni I\n6 1 10\ndirect\n0.888311 0.962301 0.240913 Y\n0.111688 0.037700 0.759087 Y\n0.027310 0.714717 0.913995 Y\n0.972689 0.285284 0.086005 Y\n0.651673 0.874977 0.835531 Y\n0.348326 0.125023 0.164469 Y\n0.000000 0.000000 0.000000 Ni\n0.548818 0.190167 0.905006 I\n0.451181 0.809833 0.094994 I\n0.912250 0.626784 0.186552 I\n0.087750 0.373217 0.813447 I\n0.365078 0.462466 0.277357 I\n0.729425 0.909536 0.531678 I\n0.213566 0.732432 0.642433 I\n0.634921 0.537534 0.722643 I\n0.270575 0.090464 0.468322 I\n0.786434 0.267569 0.357567 I\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Y",
"Ni",
"I"
],
"chemical_system": "I-Ni-Y",
"density": 5.000836581538531,
"density_atomic": 0.02750778976278099,
"volume": 618.0067590527248,
"volume_molar": 21.892492315570074,
"formula_full": "Y6 Ni1 I10",
"formula_reduced": "Y6NiI10",
"formula_anonymous": "AB6C10",
"energy_above_hull": 1.0503422264705882,
"spacegroup": 2
},
{
"id": "jvasp-118212",
"created_at": "2022-09-04T14:38:37.449855Z",
"updated_at": "2022-09-04T14:38:37.449882Z",
"structure_string": "Cu1 F3\n1.0\n5.956960 0.982130 0.534512\n-3.591227 -2.798331 -0.317753\n-0.578067 -1.229114 -3.522043\nCu F\n1 3\ndirect\n0.908274 0.930730 -0.018655 Cu\n0.539079 0.862705 0.837769 F\n0.908232 0.930616 0.481359 F\n0.277504 -0.001225 0.124851 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cu",
"F"
],
"chemical_system": "Cu-F",
"density": 4.385986993006607,
"density_atomic": 0.08764813673329092,
"volume": 45.637022634854276,
"volume_molar": 6.870814354359964,
"formula_full": "Cu1 F3",
"formula_reduced": "CuF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.004942570625,
"spacegroup": 2
},
{
"id": "jvasp-120450",
"created_at": "2022-09-04T14:38:38.002723Z",
"updated_at": "2022-09-04T14:38:38.002742Z",
"structure_string": "Dy4 Mo4 Br4 O16\n1.0\n6.561581 -0.042048 -2.046664\n-1.013001 6.884378 -1.848995\n-0.028287 0.097704 10.877549\nDy Mo Br O\n4 4 4 16\ndirect\n0.647933 0.121983 0.732747 Dy\n0.352067 0.878017 0.267254 Dy\n0.387616 0.657209 0.766996 Dy\n0.612384 0.342790 0.233005 Dy\n0.731682 0.811935 0.132828 Mo\n0.268317 0.188065 0.867173 Mo\n0.776097 0.597527 0.627414 Mo\n0.223902 0.402472 0.372586 Mo\n0.814984 0.289577 0.022273 Br\n0.185016 0.710423 0.977728 Br\n0.742357 0.010584 0.481219 Br\n0.257643 0.989416 0.518782 Br\n0.330467 0.488340 0.549490 O\n0.669533 0.511660 0.450511 O\n0.273362 0.586114 0.299590 O\n0.726638 0.413886 0.700411 O\n0.956983 0.340031 0.331251 O\n0.043017 0.659968 0.668749 O\n0.599350 0.014147 0.176871 O\n0.331509 0.273923 0.042128 O\n0.375884 0.354605 0.797518 O\n0.624115 0.645395 0.202483 O\n-0.000233 0.128546 0.793630 O\n0.000233 0.871453 0.206370 O\n0.655518 0.794536 0.702142 O\n0.668490 0.726076 0.957873 O\n0.400650 0.985853 0.823130 O\n0.344481 0.205464 0.297859 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Dy",
"Mo",
"Br",
"O"
],
"chemical_system": "Br-Dy-Mo-O",
"density": 5.432966311701586,
"density_atomic": 0.05692342407371786,
"volume": 491.88889206206227,
"volume_molar": 10.57937195099352,
"formula_full": "Dy4 Mo4 Br4 O16",
"formula_reduced": "DyMoBrO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.389277215,
"spacegroup": 2
},
{
"id": "jvasp-5593",
"created_at": "2022-09-04T14:38:38.644758Z",
"updated_at": "2022-09-04T14:38:38.644779Z",
"structure_string": "Te2 Os1 Cl12\n1.0\n6.433719 -0.051986 0.037937\n3.061966 6.158972 0.082355\n2.703344 2.567148 10.138423\nTe Os Cl\n2 1 12\ndirect\n0.737809 0.748585 0.747642 Te\n0.262192 0.251414 0.252357 Te\n0.000000 0.000000 0.000000 Os\n0.030399 0.699881 0.562979 Cl\n0.969601 0.300119 0.437020 Cl\n0.557391 0.556518 0.693841 Cl\n0.403433 0.790702 0.989453 Cl\n0.596568 0.209298 0.010546 Cl\n-0.002079 0.027844 0.211327 Cl\n0.002079 0.972156 0.788672 Cl\n0.074927 0.327002 0.899632 Cl\n0.925074 0.672997 0.100368 Cl\n0.503651 0.890453 0.364395 Cl\n0.496350 0.109546 0.635605 Cl\n0.442610 0.443481 0.306158 Cl\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Te",
"Os",
"Cl"
],
"chemical_system": "Cl-Os-Te",
"density": 3.6004643187282785,
"density_atomic": 0.03734645100893629,
"volume": 401.6445899079082,
"volume_molar": 16.125068372785993,
"formula_full": "Te2 Os1 Cl12",
"formula_reduced": "Te2OsCl12",
"formula_anonymous": "AB2C12",
"energy_above_hull": 0.7087359562222223,
"spacegroup": 2
},
{
"id": "jvasp-112166",
"created_at": "2022-09-04T14:38:43.380966Z",
"updated_at": "2022-09-04T14:38:43.380992Z",
"structure_string": "Cd1 H4 C4 O4\n1.0\n3.979400 0.039162 0.281456\n-0.843888 3.869634 -0.193331\n0.671732 -0.060153 7.762560\nCd H C O\n1 4 4 4\ndirect\n0.809636 0.265858 0.261407 Cd\n0.527550 0.081858 0.665318 H\n0.066680 -0.017719 0.709304 H\n0.552565 0.549323 0.813498 H\n0.091696 0.449865 0.857521 H\n0.282759 0.653794 0.516814 C\n0.301206 0.872191 0.684095 C\n0.318080 0.659483 0.838716 C\n0.336673 0.877881 0.005992 C\n0.522543 0.724611 0.387047 O\n0.027199 0.402465 0.511672 O\n0.592308 0.129160 0.011085 O\n0.096987 0.807100 0.135803 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
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"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 3.187686177182635,
"density_atomic": 0.10922338138020465,
"volume": 119.02213459906748,
"volume_molar": 5.513600370086543,
"formula_full": "Cd1 H4 C4 O4",
"formula_reduced": "CdH4(CO)4",
"formula_anonymous": "AB4C4D4",
"energy_above_hull": 3.929642596153847,
"spacegroup": 2
},
{
"id": "jvasp-29350",
"created_at": "2022-09-04T14:38:39.325698Z",
"updated_at": "2022-09-04T14:38:39.325716Z",
"structure_string": "Ta13 Se26\n1.0\n8.600047 0.035571 1.957326\n-0.147919 9.167996 2.511693\n0.028436 0.035341 11.268757\nTa Se\n13 26\ndirect\n0.000000 0.000000 0.000000 Ta\n0.640479 0.849258 0.513302 Ta\n0.512104 0.638489 0.848179 Ta\n0.487897 0.361511 0.151821 Ta\n0.849221 0.513159 0.638571 Ta\n0.150780 0.486841 0.361429 Ta\n0.359522 0.150743 0.486698 Ta\n0.930714 0.786664 0.283119 Ta\n0.282051 0.930042 0.786417 Ta\n0.717950 0.069958 0.213583 Ta\n0.786311 0.282721 0.930377 Ta\n0.213690 0.717280 0.069624 Ta\n0.069287 0.213336 0.716881 Ta\n0.483193 0.342644 0.934407 Se\n0.516808 0.657356 0.065593 Se\n0.323820 0.878184 0.556497 Se\n0.676181 0.121816 0.443503 Se\n0.177483 0.421848 0.159181 Se\n0.596529 0.896196 0.749034 Se\n0.403472 0.103804 0.250966 Se\n0.082661 0.194244 0.476773 Se\n0.917340 0.805756 0.523227 Se\n0.140516 0.498395 0.602457 Se\n0.822518 0.578152 0.840819 Se\n0.859484 0.501606 0.397543 Se\n0.624288 0.794502 0.309465 Se\n0.223747 0.644622 0.856451 Se\n0.227432 0.753280 0.292777 Se\n0.772569 0.246720 0.707223 Se\n0.375712 0.205498 0.690535 Se\n0.554390 0.573537 0.628400 Se\n0.006901 0.058043 0.217829 Se\n-0.006900 0.941957 0.782171 Se\n0.304262 0.984284 0.993019 Se\n0.695739 0.015717 0.006981 Se\n0.079706 0.281917 0.919175 Se\n0.920295 0.718083 0.080825 Se\n0.776253 0.355379 0.143549 Se\n0.445610 0.426463 0.371600 Se\n",
"nsites": 39,
"nelements": 2,
"elements": [
"Ta",
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],
"chemical_system": "Se-Ta",
"density": 8.244595661491381,
"density_atomic": 0.043955286290289095,
"volume": 887.2652936995237,
"volume_molar": 13.70060638492634,
"formula_full": "Ta13 Se26",
"formula_reduced": "TaSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.535368644444444,
"spacegroup": 2
},
{
"id": "jvasp-117453",
"created_at": "2022-09-04T14:38:39.384888Z",
"updated_at": "2022-09-04T14:38:39.384911Z",
"structure_string": "Li6 V2 Si2 O10\n1.0\n4.893086 0.010804 1.223578\n1.326068 5.439422 1.412830\n0.012683 0.027984 6.184203\nLi V Si O\n6 2 2 10\ndirect\n0.514542 0.240013 0.995013 Li\n0.310619 0.446841 0.397450 Li\n0.319758 0.948064 0.392904 Li\n0.680243 0.051934 0.607096 Li\n0.689382 0.553157 0.602550 Li\n0.485460 0.759985 0.004987 Li\n0.905400 0.352569 0.207532 V\n0.094601 0.647429 0.792468 V\n0.102294 0.146618 0.782598 Si\n0.897707 0.853380 0.217402 Si\n0.351186 0.329480 0.718911 O\n0.645629 0.121217 0.286084 O\n0.648816 0.670519 0.281089 O\n0.160628 0.044152 0.093710 O\n0.001019 0.756514 0.483079 O\n0.167801 0.584702 0.111651 O\n0.832200 0.415297 0.888349 O\n0.998983 0.243485 0.516921 O\n0.839373 0.955846 0.906290 O\n0.354372 0.878781 0.713915 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"V",
"Si",
"O"
],
"chemical_system": "Li-O-Si-V",
"density": 3.635887255480417,
"density_atomic": 0.12174695628817764,
"volume": 164.27515405526503,
"volume_molar": 4.9464405054574545,
"formula_full": "Li6 V2 Si2 O10",
"formula_reduced": "Li3VSiO5",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 2.33802703,
"spacegroup": 2
},
{
"id": "jvasp-111912",
"created_at": "2022-09-04T14:38:39.333251Z",
"updated_at": "2022-09-04T14:38:39.333278Z",
"structure_string": "Mn2 V4 Te2 O14\n1.0\n6.166377 0.001237 -2.647453\n-3.379283 5.973690 -0.515912\n-0.031891 -0.011196 7.761073\nMn V Te O\n2 4 2 14\ndirect\n0.444523 0.066152 0.176584 Mn\n0.555478 0.933848 0.823416 Mn\n0.025710 0.887081 0.670690 V\n0.509551 0.564347 0.322995 V\n0.490450 0.435652 0.677006 V\n0.974291 0.112918 0.329310 V\n0.053677 0.683928 0.280709 Te\n0.946324 0.316071 0.719292 Te\n0.783329 0.222762 0.439103 O\n0.549424 0.641019 0.853686 O\n0.264857 0.413056 0.412811 O\n0.851371 0.015368 0.751626 O\n0.745907 0.097424 0.110344 O\n0.822562 0.814909 0.363885 O\n0.177439 0.185090 0.636115 O\n0.216672 0.777238 0.560898 O\n0.348668 0.741130 0.243965 O\n0.254094 0.902576 0.889656 O\n0.450577 0.358981 0.146315 O\n0.148630 0.984632 0.248374 O\n0.651333 0.258870 0.756036 O\n0.735144 0.586943 0.587190 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Mn",
"V",
"Te",
"O"
],
"chemical_system": "Mn-O-Te-V",
"density": 4.6148839508762665,
"density_atomic": 0.07711738089265743,
"volume": 285.2793980467597,
"volume_molar": 7.809057686207527,
"formula_full": "Mn2 V4 Te2 O14",
"formula_reduced": "MnV2TeO7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 3.20088071891327,
"spacegroup": 2
},
{
"id": "jvasp-111928",
"created_at": "2022-09-04T14:38:39.466683Z",
"updated_at": "2022-09-04T14:38:39.466703Z",
"structure_string": "Li8 Mn4 O8 F4\n1.0\n5.119867 0.052607 -0.710409\n-2.524027 4.345889 0.289626\n0.016098 -0.144703 9.676202\nLi Mn O F\n8 4 8 4\ndirect\n0.187087 0.862800 0.506230 Li\n-0.000000 0.500000 0.000000 Li\n0.064494 0.138932 0.251812 Li\n0.678077 0.875864 0.992157 Li\n0.500000 0.500000 0.500000 Li\n0.321924 0.124139 0.007843 Li\n0.935506 0.861069 0.748188 Li\n0.812914 0.137201 0.493770 Li\n0.577354 0.155712 0.750453 Mn\n0.751411 0.491519 0.249352 Mn\n0.248590 0.508482 0.750648 Mn\n0.422647 0.844290 0.249547 Mn\n0.057768 0.805436 0.148232 O\n0.289929 0.818208 0.872579 O\n0.521872 0.828556 0.635538 O\n0.254610 0.195528 0.643822 O\n0.745391 0.804473 0.356178 O\n0.478129 0.171445 0.364462 O\n0.710072 0.181794 0.127422 O\n0.942233 0.194566 0.851768 O\n0.352444 0.487617 0.118418 F\n0.124043 0.468635 0.389665 F\n0.647557 0.512385 0.881582 F\n0.875958 0.531366 0.610335 F\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.6744476796343113,
"density_atomic": 0.1108089602227746,
"volume": 216.58898298250858,
"volume_molar": 5.434705594107963,
"formula_full": "Li8 Mn4 O8 F4",
"formula_reduced": "Li2MnO2F",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 1.5220640873132187,
"spacegroup": 2
}
]
}