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=spacegroup&page=264",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=262",
"results": [
{
"id": "jvasp-121007",
"created_at": "2022-09-04T14:38:54.859696Z",
"updated_at": "2022-09-04T14:38:54.859736Z",
"structure_string": "P1 H1 F1\n1.0\n6.477130 -0.000000 0.000000\n-0.000000 6.477130 0.000000\n0.000000 0.000000 4.762595\nP H F\n1 1 1\ndirect\n-0.003918 0.261842 0.000000 P\n0.141202 -0.006623 0.000000 H\n-0.016097 -0.050759 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"P",
"H",
"F"
],
"chemical_system": "F-H-P",
"density": 0.4236829093956999,
"density_atomic": 0.015014551905253628,
"volume": 199.80616264347475,
"volume_molar": 40.10869453848196,
"formula_full": "P1 H1 F1",
"formula_reduced": "PHF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.8383452608333333,
"spacegroup": 6
},
{
"id": "jvasp-121308",
"created_at": "2022-09-04T14:38:55.368258Z",
"updated_at": "2022-09-04T14:38:55.368273Z",
"structure_string": "Li1 Au1 O1\n1.0\n6.350127 -0.000000 0.000000\n-0.000000 6.350127 0.000000\n0.000000 0.000000 4.762595\nLi Au O\n1 1 1\ndirect\n0.026681 0.226527 0.000000 Li\n0.324356 -0.010293 0.000000 Au\n-0.082104 -0.005323 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"Au",
"O"
],
"chemical_system": "Au-Li-O",
"density": 1.9014268236040608,
"density_atomic": 0.015621142021024966,
"volume": 192.04741855379137,
"volume_molar": 38.55121957085225,
"formula_full": "Li1 Au1 O1",
"formula_reduced": "LiAuO",
"formula_anonymous": "ABC",
"energy_above_hull": null,
"spacegroup": 6
},
{
"id": "jvasp-91496",
"created_at": "2022-09-04T14:35:40.746004Z",
"updated_at": "2022-09-04T14:35:40.746022Z",
"structure_string": "Nb4 Tl2 P2 S20\n1.0\n6.774924 0.000000 -1.731747\n0.000000 7.413830 0.000000\n0.034494 0.000000 12.996302\nNb Tl P S\n4 2 2 20\ndirect\n0.841311 0.443254 0.158960 Nb\n0.341311 0.556746 0.658960 Nb\n0.544854 0.435042 0.870286 Nb\n0.044855 0.564958 0.370286 Nb\n0.870043 0.993208 0.614250 Tl\n0.370043 0.006792 0.114250 Tl\n0.824433 0.092999 0.989859 P\n0.324433 0.907001 0.489859 P\n0.470819 0.450122 0.054693 S\n0.533060 0.091195 0.902238 S\n0.693203 0.636552 0.281589 S\n0.343262 0.912025 0.651706 S\n0.634722 0.666611 0.023543 S\n0.703754 0.611535 0.748399 S\n0.736123 0.372449 0.325239 S\n0.193203 0.363448 0.781589 S\n0.915329 0.359137 0.972917 S\n0.135745 0.648876 0.196910 S\n0.843262 0.087975 0.151706 S\n0.635745 0.351124 0.696909 S\n0.970818 0.549878 0.554693 S\n0.236123 0.627551 0.825238 S\n0.203755 0.388465 0.248400 S\n0.134722 0.333389 0.523543 S\n0.415330 0.640863 0.472917 S\n0.033061 0.908805 0.402238 S\n0.483763 0.094827 0.440087 S\n0.983762 0.905173 0.940087 S\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Nb",
"Tl",
"P",
"S"
],
"chemical_system": "Nb-P-S-Tl",
"density": 3.7715176419305374,
"density_atomic": 0.04286439002290391,
"volume": 653.2228729964113,
"volume_molar": 14.049286031557115,
"formula_full": "Nb4 Tl2 P2 S20",
"formula_reduced": "Nb2TlPS10",
"formula_anonymous": "ABC2D10",
"energy_above_hull": 2.801791921428571,
"spacegroup": 7
},
{
"id": "jvasp-43585",
"created_at": "2022-09-04T14:35:40.796965Z",
"updated_at": "2022-09-04T14:35:40.797001Z",
"structure_string": "Na8 Mn2 O8\n1.0\n0.000000 6.768938 0.086079\n4.872322 0.000000 0.000000\n0.000000 -6.757983 -7.789219\nNa Mn O\n8 2 8\ndirect\n0.277537 0.777537 0.315821 Na\n0.956337 0.255330 0.269369 Na\n0.491270 0.356453 0.685568 Na\n0.713505 0.742069 0.993540 Na\n0.277538 0.222463 0.815821 Na\n0.491270 0.643546 0.185568 Na\n0.956338 0.744669 0.769369 Na\n0.713504 0.257931 0.493539 Na\n0.023971 0.804804 0.513518 Mn\n0.023971 0.195196 0.013517 Mn\n0.729158 0.246717 0.976061 O\n0.085588 0.158732 0.529151 O\n0.281310 0.701158 0.739594 O\n0.918397 0.732111 0.297933 O\n0.729157 0.753283 0.476061 O\n0.085588 0.841268 0.029151 O\n0.281309 0.298842 0.239594 O\n0.918398 0.267889 0.797934 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Na",
"Mn",
"O"
],
"chemical_system": "Mn-Na-O",
"density": 2.756846851787259,
"density_atomic": 0.07085007946460012,
"volume": 254.05758378850666,
"volume_molar": 8.499836281777117,
"formula_full": "Na8 Mn2 O8",
"formula_reduced": "Na4MnO4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 1.264843026819923,
"spacegroup": 7
},
{
"id": "jvasp-98588",
"created_at": "2022-09-04T14:35:41.171165Z",
"updated_at": "2022-09-04T14:35:41.171191Z",
"structure_string": "As12 H4 O24\n1.0\n11.282963 0.000000 -5.510327\n0.000000 5.189806 0.000000\n-0.610911 0.000000 9.390378\nAs H O\n12 4 24\ndirect\n0.910346 0.113392 0.617498 As\n0.069221 0.536029 0.923357 As\n0.069221 0.963973 0.423357 As\n0.910346 0.386608 0.117498 As\n0.416798 0.606117 0.458961 As\n0.571559 0.356250 0.793826 As\n0.571559 0.143751 0.293826 As\n0.416798 -0.106117 -0.041039 As\n0.236749 0.360689 0.738650 As\n0.760127 0.872421 0.792537 As\n0.760127 0.627580 0.292537 As\n0.236749 0.139312 0.238650 As\n0.599133 0.571460 0.461227 H\n0.599133 0.928541 0.961227 H\n0.066759 0.486249 0.384857 H\n0.066759 0.013752 0.884858 H\n0.645719 0.642358 0.705181 O\n0.279848 0.037322 0.789168 O\n0.198139 0.026906 0.382798 O\n0.772817 0.522242 0.123319 O\n0.772817 -0.022242 0.623319 O\n0.198139 0.473094 0.882798 O\n0.474399 0.211181 0.082102 O\n0.516456 0.544097 0.366381 O\n0.516456 0.955904 0.866381 O\n0.474399 0.288819 0.582102 O\n0.344471 0.949779 0.237873 O\n0.034928 0.584040 0.279002 O\n0.708382 0.144195 0.854431 O\n0.344471 0.550222 0.737873 O\n0.103642 0.181376 0.051917 O\n0.892751 0.714996 0.456117 O\n0.892751 0.785006 0.956117 O\n0.103642 0.318624 0.551917 O\n0.645719 0.857643 0.205181 O\n0.937506 0.114910 0.262869 O\n0.937506 0.385090 0.762870 O\n0.034928 -0.084039 0.779003 O\n0.708382 0.355805 0.354431 O\n0.279848 0.462678 0.289168 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"As",
"H",
"O"
],
"chemical_system": "As-H-O",
"density": 4.01438135426558,
"density_atomic": 0.07513203282347453,
"volume": 532.3960832256658,
"volume_molar": 8.015410383144086,
"formula_full": "As12 H4 O24",
"formula_reduced": "As3HO6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 2.759557625,
"spacegroup": 7
},
{
"id": "jvasp-48714",
"created_at": "2022-09-04T14:35:41.668316Z",
"updated_at": "2022-09-04T14:35:41.668350Z",
"structure_string": "V4 O2 F10\n1.0\n0.000000 4.765357 0.030170\n4.767174 0.000000 0.000000\n0.000000 -4.750723 -8.673323\nV O F\n4 2 10\ndirect\n0.348219 0.772994 0.827224 V\n0.675672 0.243698 0.686341 V\n0.348218 0.227006 0.327225 V\n0.675672 0.756301 0.186342 V\n0.591835 0.036148 0.810134 O\n0.591835 0.963851 0.310134 O\n0.036684 0.470874 0.818532 F\n0.389066 0.541111 0.676336 F\n0.962327 0.965347 0.676793 F\n0.679390 0.427023 0.502020 F\n0.317553 0.067581 0.500670 F\n0.036683 0.529125 0.318532 F\n0.962327 0.034652 0.176793 F\n0.389066 0.458889 0.176337 F\n0.679389 0.572976 0.002021 F\n0.317553 0.932418 0.000670 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.6005534381377036,
"density_atomic": 0.08148669072890526,
"volume": 196.35108331039908,
"volume_molar": 7.390336637960687,
"formula_full": "V4 O2 F10",
"formula_reduced": "V2OF5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 1.1482129140625,
"spacegroup": 7
},
{
"id": "jvasp-87025",
"created_at": "2022-09-04T14:35:44.594732Z",
"updated_at": "2022-09-04T14:35:44.594755Z",
"structure_string": "Li4 Be2 Si2 O8\n1.0\n4.723370 0.000000 -0.013219\n0.000000 4.969614 0.000000\n0.016480 0.000000 6.091521\nLi Be Si O\n4 2 2 8\ndirect\n0.999187 0.175920 0.499414 Li\n0.499187 0.824079 0.999414 Li\n0.498941 0.335655 0.747283 Li\n0.998941 0.664344 0.247283 Li\n0.508475 0.321878 0.248347 Be\n0.008475 0.678121 0.748347 Be\n0.008612 0.178220 0.997291 Si\n0.508612 0.821779 0.497291 Si\n0.355967 0.197941 0.026645 O\n0.356082 0.698207 0.718416 O\n0.916597 0.859288 0.968040 O\n0.855967 0.802059 0.526645 O\n0.416597 0.140712 0.468040 O\n0.916139 0.356966 0.779563 O\n0.416139 0.643034 0.279563 O\n0.856082 0.301793 0.218416 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Be",
"Si",
"O"
],
"chemical_system": "Be-Li-O-Si",
"density": 2.6704685810429085,
"density_atomic": 0.11189645408911605,
"volume": 142.98933894060087,
"volume_molar": 5.381887039247798,
"formula_full": "Li4 Be2 Si2 O8",
"formula_reduced": "Li2BeSiO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.9759385875,
"spacegroup": 7
},
{
"id": "jvasp-48187",
"created_at": "2022-09-04T14:35:44.370348Z",
"updated_at": "2022-09-04T14:35:44.370369Z",
"structure_string": "Li2 Co2 Ge2 O8\n1.0\n0.000000 5.104912 0.023753\n5.370714 0.000000 0.000000\n0.000000 -5.117188 -6.597528\nLi Co Ge O\n2 2 2 8\ndirect\n0.503199 0.833555 0.003092 Li\n0.503199 0.166444 0.503093 Li\n0.995808 0.163887 0.999490 Co\n0.995808 0.836112 0.499490 Co\n0.749530 0.671476 0.753379 Ge\n0.749530 0.328523 0.253379 Ge\n0.393047 0.726685 0.742882 O\n0.088909 0.163669 0.470618 O\n0.832651 0.651438 0.263380 O\n0.670749 0.176544 0.037030 O\n0.393047 0.273315 0.242882 O\n0.088909 0.836331 0.970618 O\n0.832651 0.348562 0.763380 O\n0.670749 0.823455 0.537030 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Co",
"Ge",
"O"
],
"chemical_system": "Co-Ge-Li-O",
"density": 3.73162563958752,
"density_atomic": 0.0776777590218433,
"volume": 180.23177002394138,
"volume_molar": 7.752722060772312,
"formula_full": "Li2 Co2 Ge2 O8",
"formula_reduced": "LiCoGeO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.1333844071428567,
"spacegroup": 7
},
{
"id": "jvasp-85785",
"created_at": "2022-09-04T14:35:45.949475Z",
"updated_at": "2022-09-04T14:35:45.949499Z",
"structure_string": "K2 H4 I6 O2\n1.0\n4.110159 0.000000 -2.014820\n0.000000 9.992311 0.000000\n-0.014324 0.000000 9.396564\nK H I O\n2 4 6 2\ndirect\n0.023964 0.239149 0.616382 K\n0.023964 0.760851 0.116382 K\n0.738406 0.194063 0.874451 H\n0.738405 0.805937 0.374451 H\n0.707679 0.348730 0.846678 H\n0.707679 0.651270 0.346678 H\n0.342777 0.536402 0.909903 I\n0.342777 0.463598 0.409904 I\n0.376453 0.754507 0.699679 I\n0.376452 0.245493 0.199679 I\n0.394099 0.974621 0.489801 I\n0.394099 0.025379 0.989801 I\n0.689827 0.262819 0.792304 O\n0.689826 0.737181 0.292304 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"K",
"H",
"I",
"O"
],
"chemical_system": "H-I-K-O",
"density": 3.770618857189057,
"density_atomic": 0.03630438192653444,
"volume": 385.6283802966376,
"volume_molar": 16.587917051408297,
"formula_full": "K2 H4 I6 O2",
"formula_reduced": "KH2I3O",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 0.7970043321428577,
"spacegroup": 7
},
{
"id": "jvasp-96552",
"created_at": "2022-09-04T14:35:50.825305Z",
"updated_at": "2022-09-04T14:35:50.825320Z",
"structure_string": "Sr2 Si14 N20\n1.0\n6.775197 0.000000 0.000000\n0.000000 6.617117 -1.910175\n0.000000 -0.007902 9.685051\nSr Si N\n2 14 20\ndirect\n0.947620 0.050361 0.336392 Sr\n0.052381 0.050362 0.836392 Sr\n0.973245 0.647391 0.983901 Si\n0.376072 0.149803 0.190068 Si\n0.973882 0.460103 0.671894 Si\n0.629637 0.515433 0.312154 Si\n0.364849 0.333683 0.506465 Si\n0.619379 0.703479 0.616071 Si\n0.605290 0.891070 0.926158 Si\n0.370363 0.515434 0.812154 Si\n0.623928 0.149803 0.690068 Si\n0.026756 0.647391 0.483901 Si\n0.380622 0.703479 0.116071 Si\n0.394711 0.891070 0.426158 Si\n0.026119 0.460102 0.171894 Si\n0.635151 0.333683 0.006465 Si\n0.501605 0.712827 0.775619 N\n0.415523 0.295527 0.675008 N\n0.538302 0.500871 0.476013 N\n0.117216 0.554033 0.827811 N\n0.870432 0.681253 0.635899 N\n0.882784 0.554033 0.327811 N\n0.835168 0.846680 0.979329 N\n0.617600 0.112018 0.866379 N\n0.844835 0.250983 0.668218 N\n0.129569 0.681253 0.135899 N\n0.584478 0.295527 0.175008 N\n0.498395 0.712827 0.275619 N\n0.155165 0.250983 0.168218 N\n0.422028 0.920274 0.060895 N\n0.868678 0.431917 0.022423 N\n0.382400 0.112018 0.366379 N\n0.461699 0.500871 0.976013 N\n0.164833 0.846680 0.479329 N\n0.577973 0.920274 0.560895 N\n0.131322 0.431917 0.522423 N\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Sr",
"Si",
"N"
],
"chemical_system": "N-Si-Sr",
"density": 3.2459881476937014,
"density_atomic": 0.08293009204279947,
"volume": 434.10056727563654,
"volume_molar": 7.261707555915925,
"formula_full": "Sr2 Si14 N20",
"formula_reduced": "SrSi7N10",
"formula_anonymous": "AB7C10",
"energy_above_hull": 5.024241056111111,
"spacegroup": 7
},
{
"id": "jvasp-50709",
"created_at": "2022-09-04T14:35:52.704375Z",
"updated_at": "2022-09-04T14:35:52.704401Z",
"structure_string": "Li4 Cu4 P4 O16\n1.0\n0.000000 7.808902 0.072711\n5.291983 0.000000 0.000000\n0.000000 -2.096183 -8.122209\nLi Cu P O\n4 4 4 16\ndirect\n0.036690 0.856157 0.928817 Li\n0.503386 0.320132 0.722427 Li\n0.036689 0.143843 0.428817 Li\n0.503386 0.679868 0.222427 Li\n0.120026 0.333469 0.798783 Cu\n0.623736 0.830756 0.606073 Cu\n0.120026 0.666530 0.298783 Cu\n0.623736 0.169243 0.106073 Cu\n0.260624 0.182278 0.179528 P\n0.752397 0.336600 0.480512 P\n0.260624 0.817722 0.679528 P\n0.752397 0.663400 0.980512 P\n0.423109 0.338753 0.164061 O\n0.779194 0.198635 0.324351 O\n0.309653 0.905982 0.232853 O\n0.179452 0.306520 0.311238 O\n0.683534 0.608668 0.437395 O\n0.944074 0.321956 0.592624 O\n0.622366 0.193884 0.559574 O\n0.683534 0.391332 0.937395 O\n0.423109 0.661246 0.664061 O\n0.779194 0.801364 0.824352 O\n0.309654 0.094018 0.732853 O\n0.179452 0.693479 0.811238 O\n0.622365 0.806116 0.059574 O\n0.122959 0.181150 0.007965 O\n0.122959 0.818850 0.507965 O\n0.944074 0.678043 0.092624 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Cu",
"P",
"O"
],
"chemical_system": "Cu-Li-O-P",
"density": 3.282162876018658,
"density_atomic": 0.08362196158102281,
"volume": 334.840267683392,
"volume_molar": 7.201625800376664,
"formula_full": "Li4 Cu4 P4 O16",
"formula_reduced": "LiCuPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.8351757071428567,
"spacegroup": 7
},
{
"id": "jvasp-98655",
"created_at": "2022-09-04T14:36:04.026744Z",
"updated_at": "2022-09-04T14:36:04.026763Z",
"structure_string": "Zn2 Si2 Ag4 O8\n1.0\n5.525459 0.000000 -0.074736\n0.000000 5.487073 0.000000\n-0.042900 0.000000 6.991418\nZn Si Ag O\n2 2 4 8\ndirect\n0.495836 0.808980 0.502225 Zn\n0.995836 0.191019 0.002225 Zn\n0.994392 0.687641 0.254411 Si\n0.494392 0.312359 0.754412 Si\n0.981304 0.199772 0.512347 Ag\n0.481304 0.800228 0.012347 Ag\n0.498569 0.298626 0.243674 Ag\n-0.001431 0.701373 0.743675 Ag\n0.201755 0.289983 0.790895 O\n0.701755 0.710017 0.290895 O\n0.146063 0.795250 0.441915 O\n0.646063 0.204750 0.941915 O\n0.571913 0.600406 0.723727 O\n0.562167 0.156290 0.559803 O\n0.071913 0.399594 0.223727 O\n0.062167 0.843710 0.059803 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Zn",
"Si",
"Ag",
"O"
],
"chemical_system": "Ag-O-Si-Zn",
"density": 5.848110517154472,
"density_atomic": 0.07548865046803503,
"volume": 211.95239152904253,
"volume_molar": 7.977544601290786,
"formula_full": "Zn2 Si2 Ag4 O8",
"formula_reduced": "ZnSi(AgO2)2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.35736094,
"spacegroup": 7
}
]
}