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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=327",
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"results": [
{
"id": "jvasp-47442",
"created_at": "2022-09-04T14:38:02.858227Z",
"updated_at": "2022-09-04T14:38:02.858244Z",
"structure_string": "Li8 Mn4 O8 F4\n1.0\n2.907935 4.252172 -0.058339\n-2.907935 4.252172 0.058339\n-3.074682 0.000000 8.814670\nLi Mn O F\n8 4 8 4\ndirect\n0.119571 0.631466 0.728227 Li\n0.368533 0.880428 0.228227 Li\n0.042308 0.189925 0.606002 Li\n0.210006 0.045042 0.911178 Li\n0.810074 0.957692 0.106002 Li\n0.954958 0.789994 0.411178 Li\n0.615916 0.122796 0.745655 Li\n0.877204 0.384084 0.245655 Li\n0.455753 0.299909 0.416102 Mn\n0.294560 0.454121 0.093161 Mn\n0.700091 0.544246 0.916102 Mn\n0.545879 0.705440 0.593161 Mn\n0.376352 0.854950 0.760195 O\n0.748891 0.955411 0.573488 O\n0.333442 0.468965 0.572368 O\n0.145049 0.623648 0.260195 O\n0.861470 0.407078 0.756194 O\n0.044588 0.251108 0.073488 O\n0.531034 0.666557 0.072368 O\n0.592921 0.138530 0.256194 O\n0.745082 0.530880 0.413561 F\n0.469120 0.254917 0.913561 F\n0.966628 0.809432 0.923870 F\n0.190567 0.033372 0.423870 F\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.676602652248183,
"density_atomic": 0.11087394693519267,
"volume": 216.46203335783045,
"volume_molar": 5.431520141986128,
"formula_full": "Li8 Mn4 O8 F4",
"formula_reduced": "Li2MnO2F",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 1.521567420646552,
"spacegroup": 9
},
{
"id": "jvasp-29960",
"created_at": "2022-09-04T14:38:02.758108Z",
"updated_at": "2022-09-04T14:38:02.758127Z",
"structure_string": "Nb6 Ir2 Se16\n1.0\n6.254180 -0.000996 3.127161\n-3.154629 6.078440 -1.506407\n-2.521576 0.069827 12.862672\nNb Ir Se\n6 2 16\ndirect\n0.018327 0.523580 0.999395 Nb\n0.256372 0.023662 0.499328 Nb\n0.029683 0.997605 0.002768 Nb\n0.498141 0.534864 0.998216 Nb\n0.789024 0.034953 0.498142 Nb\n0.715667 0.497690 0.502694 Nb\n0.252743 0.452885 0.500796 Ir\n0.449698 0.952792 0.000868 Ir\n0.865815 0.346513 0.629015 Se\n0.850251 0.840645 0.631034 Se\n0.414482 0.175395 0.871830 Se\n0.658352 0.186349 0.367354 Se\n0.639631 0.675489 0.371760 Se\n0.394399 0.662638 0.856283 Se\n0.342340 0.314341 0.645592 Se\n0.601986 0.846409 0.129087 Se\n0.162507 0.162716 0.356220 Se\n0.354752 0.804998 0.609475 Se\n0.911033 0.686255 0.867419 Se\n0.109675 0.340545 0.131099 Se\n0.150750 0.652669 0.390629 Se\n0.076719 0.814241 0.145660 Se\n0.591108 0.304913 0.109536 Se\n0.861673 0.152576 0.890702 Se\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Nb",
"Ir",
"Se"
],
"chemical_system": "Ir-Nb-Se",
"density": 6.821183901029243,
"density_atomic": 0.04470617992155246,
"volume": 536.8385319907374,
"volume_molar": 13.470488354333263,
"formula_full": "Nb6 Ir2 Se16",
"formula_reduced": "Nb3IrSe8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 3.2180746861111107,
"spacegroup": 9
},
{
"id": "jvasp-9876",
"created_at": "2022-09-04T14:38:04.012782Z",
"updated_at": "2022-09-04T14:38:04.012811Z",
"structure_string": "Ca4 Al2 Bi2 O10\n1.0\n5.638342 0.001978 0.012320\n-0.002088 5.982553 -0.000935\n-2.595727 -2.990955 7.751671\nCa Al Bi O\n4 2 2 10\ndirect\n0.832713 0.390523 0.757832 Ca\n0.587613 0.169770 0.289353 Ca\n0.087607 0.618850 0.289361 Ca\n0.332691 0.866570 0.757832 Ca\n0.725412 0.821617 0.515795 Al\n0.225418 0.193423 0.515788 Al\n0.477769 0.490225 0.994991 Bi\n0.977761 0.004026 0.994998 Bi\n0.643445 0.165031 0.869425 O\n0.885884 0.641942 0.034514 O\n0.213619 0.275986 0.336337 O\n0.868421 0.748029 0.702224 O\n0.418316 0.937063 0.492446 O\n0.368408 0.453450 0.702214 O\n0.918324 0.054624 0.492445 O\n0.143452 0.203652 0.869440 O\n0.713620 0.559607 0.336344 O\n0.385877 0.891823 0.034513 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ca",
"Al",
"Bi",
"O"
],
"chemical_system": "Al-Bi-Ca-O",
"density": 5.027769338262487,
"density_atomic": 0.06879352064623936,
"volume": 261.65254853814463,
"volume_molar": 8.753935986163551,
"formula_full": "Ca4 Al2 Bi2 O10",
"formula_reduced": "Ca2AlBiO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.5177783822222224,
"spacegroup": 9
},
{
"id": "jvasp-46241",
"created_at": "2022-09-04T14:38:05.265594Z",
"updated_at": "2022-09-04T14:38:05.265621Z",
"structure_string": "Li12 Cr2 O12\n1.0\n5.566580 -0.000393 0.001930\n-2.782928 4.850390 0.015571\n-0.003788 -0.159589 10.630100\nLi Cr O\n12 2 12\ndirect\n0.394016 0.376971 0.724012 Li\n0.388459 0.380732 0.150632 Li\n0.982965 0.376972 0.224008 Li\n0.713295 0.703341 0.260183 Li\n0.992277 0.380729 0.650631 Li\n0.327354 0.653684 0.409485 Li\n0.673971 0.318720 0.909053 Li\n0.326339 0.653677 0.909481 Li\n0.644760 0.318730 0.409049 Li\n0.581761 0.974207 0.713962 Li\n0.990053 0.703336 0.760184 Li\n0.392452 0.974208 0.213960 Li\n-0.002677 -0.003049 0.005059 Cr\n-0.000365 -0.003045 0.505061 Cr\n0.286393 0.283145 0.958582 O\n0.996751 0.283144 0.458584 O\n0.716984 0.714025 0.453248 O\n0.348293 0.641383 0.236227 O\n0.690887 0.338992 0.735475 O\n0.019289 0.013248 0.162918 O\n-0.006036 0.013246 0.662920 O\n0.293099 0.641384 0.736224 O\n0.648117 0.338992 0.235469 O\n0.709946 0.992396 0.958581 O\n-0.002948 0.714022 0.953247 O\n0.282457 0.992408 0.458584 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Li",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O",
"density": 2.1943123634683253,
"density_atomic": 0.09058706595662551,
"volume": 287.01669190223254,
"volume_molar": 6.647903535018448,
"formula_full": "Li12 Cr2 O12",
"formula_reduced": "Li6CrO6",
"formula_anonymous": "AB6C6",
"energy_above_hull": 2.0551752615384613,
"spacegroup": 9
},
{
"id": "jvasp-33679",
"created_at": "2022-09-04T14:38:06.942185Z",
"updated_at": "2022-09-04T14:38:06.942207Z",
"structure_string": "B2 Cl2 O4 F8\n1.0\n2.435276 4.541183 -0.034427\n-2.435276 4.541183 0.034427\n-1.276408 0.000000 9.488000\nB Cl O F\n2 2 4 8\ndirect\n0.409510 0.450495 0.515608 B\n0.549504 0.590489 0.015608 B\n0.885495 0.672329 0.751278 Cl\n0.327671 0.114504 0.251278 Cl\n0.132769 0.361127 0.809580 O\n0.857591 0.922949 0.818091 O\n0.638873 0.867230 0.309580 O\n0.077051 0.142408 0.318091 O\n0.142826 0.715368 0.564121 F\n0.498311 0.642148 0.863122 F\n0.284631 0.857173 0.064121 F\n0.357852 0.501688 0.363122 F\n0.425660 0.176610 0.560793 F\n0.680982 0.431907 0.562838 F\n0.823389 0.574339 0.060793 F\n0.568093 0.319017 0.062838 F\n",
"nsites": 16,
"nelements": 4,
"elements": [
"B",
"Cl",
"O",
"F"
],
"chemical_system": "B-Cl-F-O",
"density": 2.4458351749057092,
"density_atomic": 0.07638794880173169,
"volume": 209.45712315863736,
"volume_molar": 7.883626742787312,
"formula_full": "B2 Cl2 O4 F8",
"formula_reduced": "BCl(OF2)2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.0825843476041666,
"spacegroup": 9
},
{
"id": "jvasp-44725",
"created_at": "2022-09-04T14:38:07.477471Z",
"updated_at": "2022-09-04T14:38:07.477500Z",
"structure_string": "Li2 Fe2 P2 O8\n1.0\n4.945104 0.037206 -0.052205\n2.391213 4.328783 -0.061798\n2.298611 1.386172 7.994706\nLi Fe P O\n2 2 2 8\ndirect\n0.440663 0.571101 0.494529 Li\n0.073098 0.938616 0.994568 Li\n0.810915 0.684060 0.750714 Fe\n0.186031 0.308916 0.250687 Fe\n0.433484 0.317171 0.873802 P\n0.819134 0.931474 0.373803 P\n0.765401 0.036105 0.849274 O\n0.467102 0.594666 0.904799 O\n0.278831 0.414554 0.716443 O\n0.734161 0.710336 0.524243 O\n0.538085 0.263409 0.349256 O\n0.096701 0.965054 0.404741 O\n0.916401 0.776797 0.216467 O\n0.212281 0.232211 0.024205 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-O-P",
"density": 3.060478453751701,
"density_atomic": 0.08178028758788695,
"volume": 171.1903982356946,
"volume_molar": 7.363804820970061,
"formula_full": "Li2 Fe2 P2 O8",
"formula_reduced": "LiFePO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.438319285714286,
"spacegroup": 9
},
{
"id": "jvasp-46001",
"created_at": "2022-09-04T14:38:08.373613Z",
"updated_at": "2022-09-04T14:38:08.373625Z",
"structure_string": "Li6 Sb2 S8\n1.0\n-0.000000 7.845351 0.000000\n-5.897448 3.922676 -1.817366\n3.797573 -3.922676 8.324499\nLi Sb S\n6 2 8\ndirect\n0.919198 0.061154 0.631532 Li\n0.651179 0.561154 0.131531 Li\n0.437400 0.580911 0.680364 Li\n0.313031 0.452653 0.882416 Li\n0.662053 0.080911 0.180364 Li\n0.116732 0.952652 0.382415 Li\n0.830247 0.755649 0.720769 Sb\n0.134873 0.255649 0.220769 Sb\n0.011160 0.671032 0.044460 S\n0.660971 0.861568 0.484070 S\n0.232354 0.661774 0.458501 S\n0.435932 0.828555 0.030283 S\n0.564372 0.161775 0.958502 S\n0.765796 0.328555 0.530283 S\n0.362268 0.171033 0.544460 S\n0.961531 0.361568 0.984070 S\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Sb",
"S"
],
"chemical_system": "Li-S-Sb",
"density": 2.7174220843082226,
"density_atomic": 0.0483370758755205,
"volume": 331.00885211186164,
"volume_molar": 12.458636876397838,
"formula_full": "Li6 Sb2 S8",
"formula_reduced": "Li3SbS4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.5285107625,
"spacegroup": 9
},
{
"id": "jvasp-44524",
"created_at": "2022-09-04T14:38:09.756535Z",
"updated_at": "2022-09-04T14:38:09.756554Z",
"structure_string": "Sn4 B4 O12\n1.0\n5.138182 0.000779 -0.324148\n2.557268 4.456601 0.324148\n-0.731216 1.262409 12.793928\nSn B O\n4 4 12\ndirect\n0.152841 0.625512 0.361901 Sn\n0.454704 0.112062 0.127747 Sn\n0.374487 0.847159 0.861901 Sn\n0.887938 0.545296 0.627747 Sn\n0.106102 0.454938 0.879602 B\n0.562864 0.204838 0.630655 B\n0.545062 0.893898 0.379602 B\n0.795162 0.437135 0.130654 B\n0.804402 0.174136 0.113594 O\n0.517347 0.696395 0.123965 O\n0.555012 0.939222 0.652166 O\n0.825863 0.195598 0.613594 O\n0.253629 0.972531 0.377762 O\n0.303604 0.482653 0.623965 O\n0.284389 0.205953 0.964568 O\n0.027469 0.746371 0.877762 O\n0.794047 0.715611 0.464568 O\n0.060778 0.444988 0.152166 O\n0.655199 0.963987 0.291790 O\n0.036012 0.344801 0.791790 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sn",
"B",
"O"
],
"chemical_system": "B-O-Sn",
"density": 4.083711964361433,
"density_atomic": 0.06926768563957972,
"volume": 288.73492473916224,
"volume_molar": 8.694011795536206,
"formula_full": "Sn4 B4 O12",
"formula_reduced": "SnBO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.1868769566666666,
"spacegroup": 9
},
{
"id": "jvasp-44785",
"created_at": "2022-09-04T14:38:09.840004Z",
"updated_at": "2022-09-04T14:38:09.840028Z",
"structure_string": "Li8 Fe2 O6 F2\n1.0\n5.549130 -0.007705 -0.020119\n0.120700 5.548684 -0.013638\n0.040333 0.029256 6.159074\nLi Fe O F\n8 2 6 2\ndirect\n0.122699 0.027050 0.303649 Li\n0.799305 0.827647 0.495041 Li\n0.804035 0.822947 0.995050 Li\n0.299944 0.639161 0.213963 Li\n0.121113 0.391398 0.489018 Li\n0.615263 0.323370 0.713711 Li\n0.367419 0.144991 0.989000 Li\n0.003252 0.146225 0.803338 Li\n0.663861 0.299768 0.250677 Fe\n0.276181 0.687474 0.750927 Fe\n0.162628 0.862303 0.989209 O\n0.141071 0.745264 0.480626 O\n0.265855 0.355164 0.767002 O\n0.331492 0.289773 0.267050 O\n0.721343 0.164572 0.980299 O\n0.838595 0.186233 0.488929 O\n0.666054 0.672681 0.238445 F\n0.649116 0.689469 0.738437 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 2.637312324300084,
"density_atomic": 0.09491040931905917,
"volume": 189.65253789486482,
"volume_molar": 6.34507932607839,
"formula_full": "Li8 Fe2 O6 F2",
"formula_reduced": "Li4FeO3F",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 1.5178540313888886,
"spacegroup": 9
},
{
"id": "jvasp-42919",
"created_at": "2022-09-04T14:38:10.067613Z",
"updated_at": "2022-09-04T14:38:10.067653Z",
"structure_string": "Mn8 O14 F2\n1.0\n6.461603 -0.008027 -0.018503\n-0.717380 6.421663 -0.018609\n-2.808420 -3.135981 5.417003\nMn O F\n8 14 2\ndirect\n0.695320 0.446077 0.139345 Mn\n0.803773 0.049495 0.856058 Mn\n0.323590 0.547749 0.354134 Mn\n0.196077 0.945322 0.639347 Mn\n0.799496 0.053771 0.356058 Mn\n0.697601 0.448108 0.648480 Mn\n0.198109 0.947601 0.148479 Mn\n0.297752 0.573589 0.854138 Mn\n0.902848 0.981018 0.617326 O\n0.400372 0.479046 0.619243 O\n0.268895 0.856378 0.883708 O\n0.631498 0.718344 0.115906 O\n0.229046 0.650374 0.119248 O\n0.867701 0.778221 0.882756 O\n0.964636 0.388897 0.618436 O\n0.138899 0.214634 0.118437 O\n0.528217 0.117701 0.382753 O\n0.764164 0.347777 0.881302 O\n0.731018 0.152851 0.117330 O\n0.606380 0.518894 0.383713 O\n0.097779 0.014163 0.381306 O\n0.468346 0.881497 0.615905 O\n0.351725 0.286764 0.883298 F\n0.036757 0.601722 0.383295 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 5.200473806064274,
"density_atomic": 0.10714745510613663,
"volume": 223.9903876039465,
"volume_molar": 5.620423512658021,
"formula_full": "Mn8 O14 F2",
"formula_reduced": "Mn4O7F",
"formula_anonymous": "AB4C7",
"energy_above_hull": 3.2718478123347703,
"spacegroup": 9
},
{
"id": "jvasp-44786",
"created_at": "2022-09-04T14:38:11.172373Z",
"updated_at": "2022-09-04T14:38:11.172395Z",
"structure_string": "Li4 Mn2 Fe2 B4 O12\n1.0\n5.184448 0.007013 0.042159\n2.579349 4.497277 -0.042159\n-0.129544 0.223288 10.172443\nLi Mn Fe B O\n4 2 2 4 12\ndirect\n0.327078 0.656247 0.333562 Li\n0.343754 0.672922 0.833562 Li\n0.653995 0.335560 0.587108 Li\n0.664441 0.346006 0.087108 Li\n0.329238 0.006804 0.115326 Mn\n0.993197 0.670763 0.615326 Mn\n0.678538 0.003613 0.866973 Fe\n0.996388 0.321463 0.366973 Fe\n0.664061 0.000325 0.372885 B\n0.998256 0.668979 0.124240 B\n-0.000325 0.335940 0.872884 B\n0.331021 0.001745 0.624240 B\n0.752506 0.935668 0.084623 O\n0.064332 0.247495 0.584623 O\n0.257788 0.065660 0.897466 O\n0.016943 0.586456 0.839347 O\n0.577133 0.034551 0.652614 O\n0.274354 0.644854 0.138202 O\n0.355147 0.725646 0.638202 O\n0.644616 0.276384 0.385755 O\n0.723617 0.355384 0.885754 O\n0.413545 0.983058 0.339348 O\n0.965450 0.422867 0.152614 O\n0.934342 0.742212 0.397466 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Li-Mn-O",
"density": 3.393778563469228,
"density_atomic": 0.10122596147439701,
"volume": 237.09332715076553,
"volume_molar": 5.949205788994332,
"formula_full": "Li4 Mn2 Fe2 B4 O12",
"formula_reduced": "Li2MnFe(BO3)2",
"formula_anonymous": "ABC2D2E6",
"energy_above_hull": 3.1275440756704977,
"spacegroup": 9
},
{
"id": "jvasp-44446",
"created_at": "2022-09-04T14:38:10.851597Z",
"updated_at": "2022-09-04T14:38:10.851624Z",
"structure_string": "Li4 Mn6 Cu2 O16\n1.0\n5.708107 -0.008939 -0.083984\n-2.861795 4.956775 0.167966\n-0.136061 0.235665 9.594518\nLi Mn Cu O\n4 6 2 16\ndirect\n0.325639 0.649150 0.894923 Li\n0.008376 0.025969 0.996131 Li\n-0.008377 0.017593 0.496131 Li\n0.674360 0.323511 0.394923 Li\n0.822617 0.660232 0.713873 Mn\n0.326786 0.161546 0.714922 Mn\n0.818970 0.162997 0.715481 Mn\n0.181029 0.344027 0.215480 Mn\n0.177382 0.837615 0.213872 Mn\n0.673213 0.834758 0.214922 Mn\n0.329113 0.669321 0.494679 Cu\n0.670886 0.340206 0.994679 Cu\n0.324207 0.170314 0.105357 O\n0.855103 0.703248 0.107387 O\n0.657908 0.338894 0.607859 O\n0.502746 0.009098 0.821121 O\n0.506749 0.464695 0.831945 O\n0.675792 0.846106 0.605358 O\n0.497254 0.506353 0.321121 O\n0.044270 0.509267 0.329860 O\n0.149105 0.321118 0.606263 O\n0.988823 0.984497 0.814127 O\n0.011174 0.995674 0.314127 O\n0.342091 0.680985 0.107859 O\n0.955729 0.464996 0.829860 O\n0.144895 0.848144 0.607387 O\n0.493249 0.957945 0.331945 O\n0.850895 0.172012 0.106264 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Cu",
"O"
],
"chemical_system": "Cu-Li-Mn-O",
"density": 4.537318832414056,
"density_atomic": 0.10332324201646118,
"volume": 270.99420666203173,
"volume_molar": 5.828447348797447,
"formula_full": "Li4 Mn6 Cu2 O16",
"formula_reduced": "Li2Mn3CuO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.781081441009852,
"spacegroup": 9
}
]
}