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=99",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=97",
"results": [
{
"id": "jvasp-48433",
"created_at": "2022-09-04T14:35:55.967068Z",
"updated_at": "2022-09-04T14:35:55.967090Z",
"structure_string": "Li6 Co2 O4 F2\n1.0\n5.428876 0.223794 -0.041682\n0.581716 5.137766 -0.003396\n0.273759 2.566987 5.060333\nLi Co O F\n6 2 4 2\ndirect\n0.883703 0.243630 0.368483 Li\n0.841010 0.837133 0.974799 Li\n0.579647 0.001388 0.287287 Li\n0.420354 -0.001389 0.712713 Li\n0.158991 0.162868 0.025200 Li\n0.116298 0.756370 0.631516 Li\n0.642128 0.524566 0.658288 Co\n0.357873 0.475435 0.341711 Co\n0.757380 0.866153 0.639424 O\n0.668958 0.619386 0.282542 O\n0.331044 0.380615 0.717457 O\n0.242621 0.133848 0.360575 O\n0.810782 0.201391 0.037144 F\n0.189220 0.798609 -0.037144 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 3.090053859188648,
"density_atomic": 0.09962354853514031,
"volume": 140.5290235677739,
"volume_molar": 6.044896862789227,
"formula_full": "Li6 Co2 O4 F2",
"formula_reduced": "Li3CoO2F",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 1.3655568832142857,
"spacegroup": 2
},
{
"id": "jvasp-89176",
"created_at": "2022-09-04T14:35:56.570500Z",
"updated_at": "2022-09-04T14:35:56.570517Z",
"structure_string": "Ta2 Te8 I2\n1.0\n6.614387 0.019926 -1.472057\n-2.233485 7.022393 -3.005136\n-0.021671 0.000891 8.572797\nTa Te I\n2 8 2\ndirect\n0.750551 0.998626 0.001199 Ta\n0.249451 0.001374 0.998801 Ta\n0.118601 0.328992 0.167928 Te\n0.035127 0.881527 0.212897 Te\n0.382684 0.855286 0.689791 Te\n0.617317 0.144713 0.310209 Te\n0.881400 0.671008 0.832071 Te\n0.537745 0.252653 0.923624 Te\n0.462256 0.747347 0.076375 Te\n0.964874 0.118473 0.787102 Te\n0.249449 0.400186 0.574107 I\n0.750552 0.599814 0.425893 I\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ta",
"Te",
"I"
],
"chemical_system": "I-Ta-Te",
"density": 6.821398403038297,
"density_atomic": 0.030122312299377087,
"volume": 398.37579136473374,
"volume_molar": 19.992292424790158,
"formula_full": "Ta2 Te8 I2",
"formula_reduced": "TaTe4I",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.8143810902777784,
"spacegroup": 2
},
{
"id": "jvasp-91685",
"created_at": "2022-09-04T14:35:56.559095Z",
"updated_at": "2022-09-04T14:35:56.559117Z",
"structure_string": "Eu4 Ga4\n1.0\n5.618782 -0.301398 1.260798\n-0.052407 5.581665 2.077778\n0.235365 -0.141191 6.114905\nEu Ga\n4 4\ndirect\n0.749492 0.831985 0.960088 Eu\n0.250506 0.168014 0.039914 Eu\n0.313009 0.723132 0.612554 Eu\n0.686989 0.276866 0.387449 Eu\n0.845829 0.769192 0.444369 Ga\n0.154169 0.230807 0.555633 Ga\n0.786180 0.374955 0.829703 Ga\n0.213818 0.625044 0.170299 Ga\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Eu",
"Ga"
],
"chemical_system": "Eu-Ga",
"density": 7.687825327021258,
"density_atomic": 0.041768047989836445,
"volume": 191.53396878749675,
"volume_molar": 14.4180565044969,
"formula_full": "Eu4 Ga4",
"formula_reduced": "EuGa",
"formula_anonymous": "AB",
"energy_above_hull": 0.0663561624999999,
"spacegroup": 2
},
{
"id": "jvasp-99114",
"created_at": "2022-09-04T14:35:56.904584Z",
"updated_at": "2022-09-04T14:35:56.904613Z",
"structure_string": "Nd2 P2 H10 C2 O14\n1.0\n6.657046 0.059954 -0.498951\n-0.283739 6.622919 -2.408308\n0.108833 0.045357 7.490502\nNd P H C O\n2 2 10 2 14\ndirect\n0.868497 0.772483 0.059272 Nd\n0.131503 0.227517 0.940728 Nd\n0.330717 0.748318 0.981460 P\n0.669283 0.251682 0.018540 P\n0.439536 0.836529 0.562134 H\n0.714612 0.667856 0.622766 H\n0.532564 0.758543 0.362790 H\n0.560464 0.163471 0.437866 H\n0.285388 0.332144 0.377234 H\n0.835111 0.480453 0.658921 H\n0.605748 0.281331 0.201219 H\n0.164889 0.519547 0.341079 H\n0.467436 0.241456 0.637209 H\n0.394252 0.718669 0.798781 H\n0.934640 0.089548 0.498239 C\n0.065359 0.910452 0.501761 C\n0.817711 0.426366 0.034344 O\n0.824811 0.067982 0.349305 O\n0.518510 0.761408 0.112208 O\n0.559144 0.774153 0.498298 O\n0.481490 0.238592 0.887792 O\n0.199779 0.376002 0.284377 O\n0.946784 0.244280 0.646263 O\n0.182289 0.573634 0.965656 O\n0.203183 0.940244 0.042672 O\n0.175189 0.932018 0.650694 O\n0.796817 0.059756 0.957327 O\n0.053216 0.755720 0.353737 O\n0.800221 0.623998 0.715623 O\n0.440856 0.225847 0.501702 O\n",
"nsites": 30,
"nelements": 5,
"elements": [
"Nd",
"P",
"H",
"C",
"O"
],
"chemical_system": "C-H-Nd-O-P",
"density": 3.0486189943245976,
"density_atomic": 0.09051022641688407,
"volume": 331.4542586803617,
"volume_molar": 6.653547337581967,
"formula_full": "Nd2 P2 H10 C2 O14",
"formula_reduced": "NdPH5CO7",
"formula_anonymous": "ABCD5E7",
"energy_above_hull": 3.2295254333333334,
"spacegroup": 2
},
{
"id": "jvasp-62342",
"created_at": "2022-09-04T14:35:57.061185Z",
"updated_at": "2022-09-04T14:35:57.061213Z",
"structure_string": "Al6 V6 O24\n1.0\n6.580666 0.004604 0.012325\n-1.547998 7.665167 -0.000196\n-2.716269 -1.578466 8.633418\nAl V O\n6 6 24\ndirect\n0.748741 0.700532 0.408860 Al\n0.251260 0.299467 0.591141 Al\n0.461153 0.884055 0.210604 Al\n0.538847 0.115944 0.789396 Al\n0.962495 0.307847 0.007859 Al\n0.037506 0.692152 0.992142 Al\n0.517334 0.301026 0.125484 V\n0.803431 0.399435 0.655510 V\n0.482666 0.698973 0.874517 V\n0.997393 0.003845 0.745187 V\n0.002607 0.996154 0.254814 V\n0.196569 0.600565 0.344490 V\n0.523195 0.119176 0.216811 O\n0.049764 0.847047 0.851501 O\n0.950236 0.152952 0.148499 O\n0.747990 0.702712 0.967237 O\n0.252010 0.297287 0.032764 O\n0.645238 0.273198 0.975773 O\n0.354762 0.726802 0.024228 O\n0.844412 0.130820 0.826917 O\n0.155588 0.869179 0.173084 O\n0.476805 0.880824 0.783190 O\n0.248888 0.135772 0.736921 O\n0.957606 0.299154 0.572399 O\n0.543742 0.255922 0.638397 O\n0.456258 0.744077 0.361604 O\n0.838842 0.903471 0.566966 O\n0.161158 0.096528 0.433035 O\n0.049126 0.524302 0.142642 O\n0.042395 0.700846 0.427601 O\n0.740252 0.566173 0.565903 O\n0.259749 0.433827 0.434098 O\n0.357238 0.507166 0.745482 O\n0.642762 0.492833 0.254518 O\n0.751112 0.864227 0.263079 O\n0.950874 0.475698 0.857358 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Al",
"V",
"O"
],
"chemical_system": "Al-O-V",
"density": 3.244341213671164,
"density_atomic": 0.08260058436186685,
"volume": 435.8322677511185,
"volume_molar": 7.2906757337423445,
"formula_full": "Al6 V6 O24",
"formula_reduced": "AlVO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.4301668333333337,
"spacegroup": 2
},
{
"id": "jvasp-95283",
"created_at": "2022-09-04T14:35:57.026841Z",
"updated_at": "2022-09-04T14:35:57.026861Z",
"structure_string": "Sr4 Li4 Al12 N16\n1.0\n5.717118 -0.001366 1.340049\n1.200422 7.369480 0.835193\n-0.006210 -0.002375 9.974598\nSr Li Al N\n4 4 12 16\ndirect\n0.995724 0.866154 0.872598 Sr\n0.004276 0.133846 0.127402 Sr\n0.976795 0.615860 0.628439 Sr\n0.023204 0.384141 0.371561 Sr\n0.533362 0.674879 0.887140 Li\n0.466638 0.325121 0.112860 Li\n0.791900 0.818745 0.355312 Li\n0.208100 0.181255 0.644688 Li\n0.562214 0.202468 0.367210 Al\n0.437786 0.797532 0.632790 Al\n0.531141 0.438707 0.624727 Al\n0.819770 0.556838 0.100107 Al\n0.180230 0.443162 0.899893 Al\n0.468859 0.561293 0.375273 Al\n0.831215 0.292382 0.852616 Al\n0.174590 0.940250 0.398008 Al\n0.825410 0.059750 0.601992 Al\n0.552377 0.954301 0.123506 Al\n0.447623 0.045699 0.876494 Al\n0.168785 0.707618 0.147384 Al\n0.196979 0.708733 0.332952 N\n0.803021 0.291267 0.667048 N\n0.161894 0.475495 0.089226 N\n0.838106 0.524505 0.910774 N\n0.830917 0.795059 0.144375 N\n0.169083 0.204941 0.855625 N\n0.152210 0.932361 0.592446 N\n0.616759 0.916373 0.720692 N\n0.383241 0.083627 0.279308 N\n0.372601 0.354888 0.504728 N\n0.627399 0.645113 0.495272 N\n0.349928 0.866806 0.028024 N\n0.650072 0.133194 0.971976 N\n0.342582 0.591440 0.761618 N\n0.847790 0.067639 0.407554 N\n0.657418 0.408560 0.238382 N\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Sr",
"Li",
"Al",
"N"
],
"chemical_system": "Al-Li-N-Sr",
"density": 3.65867170464208,
"density_atomic": 0.08564559886062445,
"volume": 420.3368355049356,
"volume_molar": 7.031465527843578,
"formula_full": "Sr4 Li4 Al12 N16",
"formula_reduced": "SrLiAl3N4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 3.239366412222222,
"spacegroup": 2
},
{
"id": "jvasp-85708",
"created_at": "2022-09-04T14:35:57.460112Z",
"updated_at": "2022-09-04T14:35:57.460129Z",
"structure_string": "K2 Co1 H4 Se2 O10\n1.0\n6.261451 0.017278 -1.757193\n-3.018478 6.748693 -0.859881\n0.061568 -0.002146 5.590242\nK Co H Se O\n2 1 4 2 10\ndirect\n0.678845 0.261918 0.272684 K\n0.321155 0.738081 0.727316 K\n0.000000 0.000000 0.000000 Co\n0.845840 0.607985 0.851348 H\n0.154160 0.392015 0.148652 H\n0.991526 0.689086 0.140624 H\n0.008473 0.310913 0.859376 H\n0.697404 0.774652 0.366992 Se\n0.302596 0.225348 0.633008 Se\n0.577648 0.388518 0.732082 O\n0.422352 0.611482 0.267918 O\n0.116359 0.335239 0.600187 O\n0.883640 0.664760 0.399813 O\n0.729053 0.913590 0.147347 O\n0.746183 0.927102 0.644911 O\n0.270946 0.086409 0.852653 O\n-0.004714 0.711613 0.969130 O\n0.253816 0.072897 0.355089 O\n0.004713 0.288386 0.030869 O\n",
"nsites": 19,
"nelements": 5,
"elements": [
"K",
"Co",
"H",
"Se",
"O"
],
"chemical_system": "Co-H-K-O-Se",
"density": 3.213493256527331,
"density_atomic": 0.08009358412632427,
"volume": 237.2224967487164,
"volume_molar": 7.518880351891645,
"formula_full": "K2 Co1 H4 Se2 O10",
"formula_reduced": "K2CoH4(SeO5)2",
"formula_anonymous": "AB2C2D4E10",
"energy_above_hull": 2.503645717543859,
"spacegroup": 2
},
{
"id": "jvasp-48249",
"created_at": "2022-09-04T14:35:57.704881Z",
"updated_at": "2022-09-04T14:35:57.704897Z",
"structure_string": "Li2 Ti3 V3 O12\n1.0\n5.106353 0.018203 -0.019972\n1.724757 5.724442 -0.076109\n1.784504 1.178871 7.468301\nLi Ti V O\n2 3 3 12\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.508782 0.667177 0.835224 Ti\n0.491218 0.332822 0.164776 Ti\n0.499999 -0.000000 0.500000 Ti\n0.997376 0.839072 0.661602 V\n0.000000 0.500000 -0.000000 V\n0.002624 0.160928 0.338398 V\n0.271455 0.306470 0.406586 O\n0.260911 0.643772 0.068590 O\n0.754141 0.146658 0.569862 O\n0.761129 0.464606 0.240619 O\n0.238871 0.535393 0.759381 O\n0.259835 0.970292 0.742397 O\n0.739088 0.356228 0.931410 O\n0.728544 0.693530 0.593414 O\n0.740164 0.029707 0.257603 O\n0.769351 0.806775 0.904443 O\n0.245858 0.853341 0.430138 O\n0.230649 0.193224 0.095557 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Ti",
"V",
"O"
],
"chemical_system": "Li-O-Ti-V",
"density": 3.8140136316290465,
"density_atomic": 0.09145336747028159,
"volume": 218.69068961839093,
"volume_molar": 6.584930578917104,
"formula_full": "Li2 Ti3 V3 O12",
"formula_reduced": "Li2Ti3V3O12",
"formula_anonymous": "A2B3C3D12",
"energy_above_hull": 3.33280848,
"spacegroup": 2
},
{
"id": "jvasp-47538",
"created_at": "2022-09-04T14:35:57.472538Z",
"updated_at": "2022-09-04T14:35:57.472566Z",
"structure_string": "Li4 Mn1 P2 O8\n1.0\n4.990907 0.046093 0.000687\n-0.780532 5.089123 0.089488\n-0.472759 -0.544343 6.114007\nLi Mn P O\n4 1 2 8\ndirect\n0.152854 0.295475 0.513356 Li\n0.354398 0.617664 0.208847 Li\n0.645603 0.382335 0.791154 Li\n0.847147 0.704524 0.486645 Li\n0.000000 0.000000 0.000000 Mn\n0.367598 0.820720 0.728708 P\n0.632403 0.179280 0.271294 P\n0.226784 0.690954 0.921398 O\n0.238869 0.677271 0.509694 O\n0.323823 0.201236 0.246278 O\n0.306064 0.110018 0.742102 O\n0.693937 0.889982 0.257899 O\n0.676178 0.798763 0.753723 O\n0.761132 0.322728 0.490308 O\n0.773217 0.309046 0.078604 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.906730588481854,
"density_atomic": 0.09630520782860476,
"volume": 155.75481677684175,
"volume_molar": 6.25318287118767,
"formula_full": "Li4 Mn1 P2 O8",
"formula_reduced": "Li4Mn(PO4)2",
"formula_anonymous": "AB2C4D8",
"energy_above_hull": 2.514511082758621,
"spacegroup": 2
},
{
"id": "jvasp-18490",
"created_at": "2022-09-04T14:35:57.905299Z",
"updated_at": "2022-09-04T14:35:57.905324Z",
"structure_string": "Cu1 Au1 F5\n1.0\n3.789529 -0.057319 0.004978\n-1.617460 4.702691 0.001272\n-0.806498 -0.284152 5.418554\nCu Au F\n1 1 5\ndirect\n-0.000000 0.500000 0.499999 Cu\n0.000000 0.000000 0.000000 Au\n0.500000 0.500000 0.500000 F\n0.853377 0.129310 0.673673 F\n0.186054 0.725122 0.845353 F\n0.813946 0.274878 0.154646 F\n0.146622 0.870690 0.326326 F\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Cu",
"Au",
"F"
],
"chemical_system": "Au-Cu-F",
"density": 6.143874371665441,
"density_atomic": 0.07285276898327037,
"volume": 96.08419964939773,
"volume_molar": 8.266179644294512,
"formula_full": "Cu1 Au1 F5",
"formula_reduced": "CuAuF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.0,
"spacegroup": 2
},
{
"id": "jvasp-98142",
"created_at": "2022-09-04T14:35:58.386561Z",
"updated_at": "2022-09-04T14:35:58.386591Z",
"structure_string": "P4 C8 S8 N12\n1.0\n7.890883 -0.031217 -1.958312\n-1.141386 7.563352 -1.252845\n-0.131774 -0.008266 9.441139\nP C S N\n4 8 8 12\ndirect\n0.073566 0.257955 0.418186 P\n0.065641 0.464720 0.715268 P\n0.934359 0.535279 0.284731 P\n0.926433 0.742044 0.581814 P\n0.798646 -0.000669 0.269525 C\n0.201354 0.000668 0.730475 C\n0.578365 0.434527 0.185506 C\n0.069367 0.745303 0.122171 C\n0.417055 0.222675 0.470317 C\n0.930633 0.254696 0.877829 C\n0.421634 0.565471 0.814494 C\n0.582945 0.777324 0.529682 C\n0.620984 0.583889 0.844580 S\n0.615982 0.899273 0.178120 S\n0.379016 0.416109 0.155420 S\n0.384018 0.100726 0.821880 S\n0.617971 0.253239 0.518721 S\n0.382028 0.746760 0.481278 S\n0.179264 0.891799 0.075662 S\n0.820736 0.108199 0.924337 S\n0.732185 0.440147 0.205858 N\n0.052863 0.386976 0.303458 N\n0.951520 0.685117 0.422715 N\n0.261567 0.189992 0.431263 N\n0.978353 0.628274 0.150143 N\n0.048479 0.314882 0.577285 N\n0.943012 0.068048 0.340893 N\n0.056987 0.931950 0.659106 N\n0.738432 0.810006 0.568737 N\n0.947136 0.613023 0.696541 N\n0.267814 0.559852 0.794142 N\n0.021647 0.371725 0.849856 N\n",
"nsites": 32,
"nelements": 4,
"elements": [
"P",
"C",
"S",
"N"
],
"chemical_system": "C-N-P-S",
"density": 1.9077043393966018,
"density_atomic": 0.057034076815882136,
"volume": 561.0680804618379,
"volume_molar": 10.558846739013104,
"formula_full": "P4 C8 S8 N12",
"formula_reduced": "PC2S2N3",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 5.00369440625,
"spacegroup": 2
},
{
"id": "jvasp-98452",
"created_at": "2022-09-04T14:35:58.244533Z",
"updated_at": "2022-09-04T14:35:58.244560Z",
"structure_string": "K4 Ca6 Si6 O20\n1.0\n5.614562 -0.008099 0.914377\n0.078281 7.381389 0.485562\n-0.020387 -0.005585 11.835851\nK Ca Si O\n4 6 6 20\ndirect\n0.721145 0.961127 0.627268 K\n0.278854 0.038874 0.372732 K\n0.171914 0.951215 0.857857 K\n0.828085 0.048786 0.142143 K\n0.212345 0.244554 0.627955 Ca\n0.787654 0.755447 0.372045 Ca\n0.183447 0.479181 0.862465 Ca\n0.816552 0.520820 0.137535 Ca\n0.736134 0.498560 0.651503 Ca\n0.263865 0.501441 0.348497 Ca\n0.644456 0.746624 0.908842 Si\n0.355543 0.253376 0.091158 Si\n0.335101 0.804894 0.146661 Si\n0.664899 0.195106 0.853339 Si\n0.755438 0.269150 0.418196 Si\n0.244561 0.730851 0.581804 Si\n0.451522 0.344421 0.194586 O\n0.548477 0.655580 0.805414 O\n0.673059 0.970124 0.874804 O\n0.326940 0.029877 0.125196 O\n0.419045 0.726867 0.018292 O\n0.580954 0.273133 0.981708 O\n0.527571 0.745320 0.231180 O\n0.472428 0.254681 0.768820 O\n0.072277 0.735934 0.200615 O\n0.787880 0.065551 0.369125 O\n0.094851 0.718276 0.472933 O\n0.905148 0.281725 0.527067 O\n0.867855 0.432080 0.323376 O\n0.132144 0.567920 0.676624 O\n0.529790 0.691094 0.536124 O\n0.470209 0.308906 0.463876 O\n0.112848 0.327186 0.049410 O\n0.212119 0.934449 0.630875 O\n0.927722 0.264066 0.799385 O\n0.887151 0.672815 0.950590 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"K",
"Ca",
"Si",
"O"
],
"chemical_system": "Ca-K-O-Si",
"density": 2.9962287186547356,
"density_atomic": 0.07336811980098495,
"volume": 490.6763332309997,
"volume_molar": 8.208116517549294,
"formula_full": "K4 Ca6 Si6 O20",
"formula_reduced": "K2Ca3Si3O10",
"formula_anonymous": "A2B3C3D10",
"energy_above_hull": 1.9498615588888888,
"spacegroup": 2
}
]
}