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=nsites&page=4011",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=4009",
"results": [
{
"id": "jvasp-120572",
"created_at": "2022-09-04T14:38:52.559326Z",
"updated_at": "2022-09-04T14:38:52.559346Z",
"structure_string": "Yb4 Fe4 O12\n1.0\n5.168771 0.000000 0.000000\n0.000000 5.259405 0.000000\n-0.000000 -0.000000 7.357012\nYb Fe O\n4 4 12\ndirect\n0.010836 0.950212 0.750000 Yb\n0.510836 0.549787 0.250000 Yb\n0.489164 0.450212 0.750000 Yb\n0.989164 0.049787 0.250000 Yb\n-0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.000000 -0.000000 Fe\n-0.000000 0.500000 -0.000000 Fe\n0.571391 0.010431 0.750000 O\n0.071391 0.489569 0.250000 O\n0.707913 0.291028 0.037282 O\n0.207914 0.208971 0.962717 O\n0.792086 0.791028 0.462717 O\n0.207914 0.208971 0.537282 O\n0.292086 0.708971 0.962717 O\n0.792086 0.791028 0.037282 O\n0.428609 0.989568 0.250000 O\n0.707913 0.291028 0.462717 O\n0.292086 0.708971 0.537282 O\n0.928609 0.510430 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Yb",
"Fe",
"O"
],
"chemical_system": "Fe-O-Yb",
"density": 9.195605336490377,
"density_atomic": 0.10000106494162414,
"volume": 199.9978701394335,
"volume_molar": 6.022076628399347,
"formula_full": "Yb4 Fe4 O12",
"formula_reduced": "YbFeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.60696934,
"spacegroup": 62
},
{
"id": "jvasp-120477",
"created_at": "2022-09-04T14:38:52.790918Z",
"updated_at": "2022-09-04T14:38:52.790945Z",
"structure_string": "K1 Li1 Al2 Si4 O10 F2\n1.0\n5.289807 -0.005804 0.499156\n-2.718660 4.537728 0.499156\n-0.008150 -0.014365 10.344890\nK Li Al Si O F\n1 1 2 4 10 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Li\n0.830140 0.169861 0.500000 Al\n0.169861 0.830139 0.500000 Al\n0.585721 0.248953 0.231384 Si\n0.414279 0.751047 0.768617 Si\n0.751047 0.414279 0.768617 Si\n0.248953 0.585721 0.231384 Si\n0.546233 0.546232 0.824584 O\n0.453768 0.453768 0.175417 O\n0.171460 0.537112 0.396838 O\n0.828541 0.462889 0.603163 O\n0.462889 0.828541 0.603163 O\n0.571853 0.059600 0.831700 O\n0.940401 0.428148 0.168300 O\n0.059600 0.571852 0.831701 O\n0.428148 0.940400 0.168300 O\n0.537112 0.171460 0.396838 O\n0.878498 0.878498 0.412126 F\n0.121503 0.121502 0.587875 F\n",
"nsites": 20,
"nelements": 6,
"elements": [
"K",
"Li",
"Al",
"Si",
"O",
"F"
],
"chemical_system": "Al-F-K-Li-O-Si",
"density": 2.7449626924377477,
"density_atomic": 0.08057096920373032,
"volume": 248.22836559689824,
"volume_molar": 7.474330791246314,
"formula_full": "K1 Li1 Al2 Si4 O10 F2",
"formula_reduced": "KLiAl2Si4(O5F)2",
"formula_anonymous": "ABC2D2E4F10",
"energy_above_hull": 2.35972067825,
"spacegroup": 12
},
{
"id": "jvasp-119152",
"created_at": "2022-09-04T14:38:51.680417Z",
"updated_at": "2022-09-04T14:38:51.680433Z",
"structure_string": "Rb4 Ta2 F14\n1.0\n5.866817 -0.000000 0.000000\n0.000000 5.793084 0.000000\n-0.000000 -0.000000 10.546762\nRb Ta F\n4 2 14\ndirect\n-0.000000 0.500000 0.365096 Rb\n0.500000 0.000000 0.634904 Rb\n0.500000 0.500000 -0.006301 Rb\n0.000000 0.000000 0.006301 Rb\n-0.000000 0.500000 0.756796 Ta\n0.500000 0.000000 0.243204 Ta\n0.794182 0.500000 0.607975 F\n0.205819 0.500000 0.607975 F\n0.500000 0.000000 0.049915 F\n-0.000000 0.500000 0.950085 F\n0.781208 0.253608 0.798808 F\n0.281208 0.753607 0.201191 F\n0.781208 0.746392 0.798808 F\n0.218793 0.746392 0.798808 F\n0.294181 0.000000 0.392025 F\n0.718793 0.753607 0.201191 F\n0.281208 0.246392 0.201191 F\n0.218793 0.253608 0.798808 F\n0.718793 0.246392 0.201191 F\n0.705819 0.000000 0.392025 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Rb",
"Ta",
"F"
],
"chemical_system": "F-Rb-Ta",
"density": 4.492364184809882,
"density_atomic": 0.05579541116609043,
"volume": 358.4524171793355,
"volume_molar": 10.793254560081001,
"formula_full": "Rb4 Ta2 F14",
"formula_reduced": "Rb2TaF7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 0.1205831177500006,
"spacegroup": 59
},
{
"id": "jvasp-119458",
"created_at": "2022-09-04T14:38:52.871232Z",
"updated_at": "2022-09-04T14:38:52.871279Z",
"structure_string": "Na3 Pd5 F12\n1.0\n7.061055 -0.082814 2.164444\n3.700846 6.014074 2.164444\n0.097843 0.053925 6.782965\nNa Pd F\n3 5 12\ndirect\n0.000000 0.000000 0.000000 Na\n0.741130 0.258869 0.499999 Na\n0.258870 0.741130 0.499999 Na\n0.769593 0.769593 0.467052 Pd\n0.230407 0.230406 0.532946 Pd\n0.500000 0.500000 -0.000001 Pd\n0.499999 0.000000 -0.000000 Pd\n0.000000 0.500000 -0.000000 Pd\n0.780459 0.362763 0.116042 F\n0.219541 0.637236 0.883957 F\n0.637237 0.219540 0.883957 F\n0.362763 0.780459 0.116042 F\n0.068124 0.068123 0.619785 F\n0.391191 0.391190 0.466970 F\n0.204681 0.204680 0.843997 F\n0.795319 0.795319 0.156001 F\n0.243236 0.243236 0.229753 F\n0.608809 0.608809 0.533028 F\n0.931876 0.931876 0.380213 F\n0.756764 0.756763 0.770245 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Pd",
"F"
],
"chemical_system": "F-Na-Pd",
"density": 4.772831218387701,
"density_atomic": 0.06933877657737059,
"volume": 288.4388936064269,
"volume_molar": 8.685098089782834,
"formula_full": "Na3 Pd5 F12",
"formula_reduced": "Na3Pd5F12",
"formula_anonymous": "A3B5C12",
"energy_above_hull": 0.39301783225,
"spacegroup": 12
},
{
"id": "jvasp-120595",
"created_at": "2022-09-04T14:38:52.914009Z",
"updated_at": "2022-09-04T14:38:52.914037Z",
"structure_string": "V4 O2 F14\n1.0\n5.262954 -0.000000 0.000000\n-0.000000 5.572079 0.872392\n-0.000000 -0.309280 8.951907\nV O F\n4 2 14\ndirect\n0.668838 0.178380 0.801471 V\n0.331162 0.178380 0.301471 V\n0.163552 0.832809 0.672146 V\n0.836448 0.832809 0.172145 V\n0.469940 0.958850 0.776869 O\n0.530059 0.958850 0.276869 O\n0.351266 0.649902 0.576063 F\n0.054679 0.611517 0.815431 F\n0.259469 0.104409 0.513578 F\n0.129683 -0.161811 0.078224 F\n-0.012253 0.076019 0.292261 F\n0.740530 0.104409 0.013578 F\n0.012253 0.076019 0.792261 F\n0.273760 0.310203 0.117492 F\n0.494330 0.417792 0.849686 F\n0.505669 0.417792 0.349686 F\n0.648733 0.649902 0.076063 F\n-0.054679 0.611517 0.315431 F\n0.870316 -0.161811 0.578225 F\n0.726240 0.310203 0.617492 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.15663738594439,
"density_atomic": 0.07577479190775815,
"volume": 263.94001879076507,
"volume_molar": 7.94741972677516,
"formula_full": "V4 O2 F14",
"formula_reduced": "V2OF7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 0.9305293877500004,
"spacegroup": 7
},
{
"id": "jvasp-120469",
"created_at": "2022-09-04T14:38:52.771882Z",
"updated_at": "2022-09-04T14:38:52.771909Z",
"structure_string": "Sc4 Be2 B4 Ir10\n1.0\n9.320418 0.000000 0.000000\n0.000000 9.320418 0.000000\n-0.000000 0.000000 2.977485\nSc Be B Ir\n4 2 4 10\ndirect\n0.676421 0.176420 -0.000000 Sc\n0.323580 0.823580 -0.000000 Sc\n0.176420 0.323580 -0.000000 Sc\n0.823580 0.676421 -0.000000 Sc\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 -0.000000 Be\n0.628576 0.871424 -0.000000 B\n0.371424 0.128576 -0.000000 B\n0.128576 0.628576 -0.000000 B\n0.871424 0.371424 -0.000000 B\n0.500000 0.000000 0.500001 Ir\n0.208265 0.067269 0.500001 Ir\n0.791735 0.932731 0.500001 Ir\n0.067269 0.791735 0.500001 Ir\n0.708266 0.432731 0.500001 Ir\n0.932731 0.208265 0.500001 Ir\n0.291735 0.567269 0.500001 Ir\n0.567269 0.708266 0.500001 Ir\n0.432731 0.291735 0.500001 Ir\n-0.000000 0.500000 0.500001 Ir\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sc",
"Be",
"B",
"Ir"
],
"chemical_system": "B-Be-Ir-Sc",
"density": 13.887940885463935,
"density_atomic": 0.0773231669985294,
"volume": 258.6546927181653,
"volume_molar": 7.788274838916693,
"formula_full": "Sc4 Be2 B4 Ir10",
"formula_reduced": "Sc2BeB2Ir5",
"formula_anonymous": "AB2C2D5",
"energy_above_hull": 4.602930726666667,
"spacegroup": 127
},
{
"id": "jvasp-119297",
"created_at": "2022-09-04T14:38:48.865660Z",
"updated_at": "2022-09-04T14:38:48.865688Z",
"structure_string": "Fe2 P4 O14\n1.0\n6.156157 0.011293 -0.191608\n0.498075 5.562920 -2.414469\n-0.065364 0.192278 6.884040\nFe P O\n2 4 14\ndirect\n0.647213 0.100645 0.213783 Fe\n0.352788 0.899355 0.786217 Fe\n0.384033 0.337869 0.649825 P\n0.615968 0.662130 0.350174 P\n0.136514 0.243009 0.243527 P\n0.863487 0.756990 0.756471 P\n0.661595 0.937527 0.863765 O\n0.946067 0.082038 0.221360 O\n0.590760 0.237511 0.520361 O\n0.813701 0.677296 0.508121 O\n0.386861 0.600605 0.798817 O\n0.338405 0.062473 0.136234 O\n0.053934 0.917962 0.778639 O\n0.186299 0.322703 0.491878 O\n0.664087 0.792352 0.207207 O\n0.093544 0.447110 0.177739 O\n0.906457 0.552891 0.822261 O\n0.613139 0.399396 0.201182 O\n0.335914 0.207648 0.792793 O\n0.409241 0.762489 0.479638 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Fe",
"P",
"O"
],
"chemical_system": "Fe-O-P",
"density": 3.199966491828781,
"density_atomic": 0.08386261021572113,
"volume": 238.4853029085749,
"volume_molar": 7.180960316533377,
"formula_full": "Fe2 P4 O14",
"formula_reduced": "FeP2O7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 2.9641431,
"spacegroup": 2
},
{
"id": "jvasp-119120",
"created_at": "2022-09-04T14:38:49.994372Z",
"updated_at": "2022-09-04T14:38:49.994390Z",
"structure_string": "Zr3 Ti1 Pb4 O12\n1.0\n5.815686 0.000297 -0.002137\n-2.908688 4.779739 -1.690400\n-0.000184 -0.012282 10.101679\nZr Ti Pb O\n3 1 4 12\ndirect\n0.355426 0.706166 0.116193 Zr\n0.853650 0.708956 0.621580 Zr\n0.106667 0.213012 0.369600 Zr\n0.600062 0.200293 0.867164 Ti\n0.204258 0.418120 0.746732 Pb\n0.708354 0.411016 0.227075 Pb\n0.465384 0.921594 0.493802 Pb\n0.948923 0.899633 0.982062 Pb\n0.768690 -0.000151 0.216812 O\n0.271835 -0.002358 0.732468 O\n0.971505 0.494546 0.469449 O\n0.491150 0.487200 0.971993 O\n0.463203 -0.000254 0.994717 O\n0.286667 0.002109 0.266104 O\n0.964750 0.488723 0.010604 O\n0.459848 0.506969 0.527005 O\n0.782276 0.481855 0.754447 O\n0.769546 0.004570 0.773882 O\n0.947391 -0.000736 0.508338 O\n0.303836 0.505550 0.257772 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Zr",
"Ti",
"Pb",
"O"
],
"chemical_system": "O-Pb-Ti-Zr",
"density": 7.941155163357825,
"density_atomic": 0.07125325378906786,
"volume": 280.68893610397527,
"volume_molar": 8.451741414963925,
"formula_full": "Zr3 Ti1 Pb4 O12",
"formula_reduced": "Zr3Ti(PbO3)4",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 2.8181413556666666,
"spacegroup": 1
},
{
"id": "jvasp-111626",
"created_at": "2022-09-04T14:38:52.872754Z",
"updated_at": "2022-09-04T14:38:52.872769Z",
"structure_string": "Na2 Ti2 Si4 O12\n1.0\n5.173552 -0.011195 1.093310\n1.234647 6.448772 0.754668\n-0.016885 0.015900 6.609065\nNa Ti Si O\n2 2 4 12\ndirect\n0.250039 0.193304 0.306825 Na\n0.749960 0.806695 0.693175 Na\n0.750011 0.412369 0.087643 Ti\n0.249989 0.587630 0.912356 Ti\n0.259149 0.699144 0.386843 Si\n0.740850 0.300854 0.613157 Si\n0.759142 0.886871 0.199081 Si\n0.240858 0.113128 0.800918 Si\n0.149372 0.292646 0.967512 O\n0.850628 0.707353 0.032488 O\n0.008418 0.134630 0.661064 O\n0.991581 0.865369 0.338936 O\n0.508408 0.161016 0.634668 O\n0.813822 0.394490 0.376471 O\n0.649368 0.467480 0.792646 O\n0.350632 0.532519 0.207354 O\n0.686155 0.123562 0.105461 O\n0.186178 0.605509 0.623528 O\n0.491592 0.838983 0.365332 O\n0.313844 0.876437 0.894539 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Na",
"Ti",
"Si",
"O"
],
"chemical_system": "Na-O-Si-Ti",
"density": 3.3565305566730044,
"density_atomic": 0.09063367234935832,
"volume": 220.66853832102942,
"volume_molar": 6.644484995363466,
"formula_full": "Na2 Ti2 Si4 O12",
"formula_reduced": "NaTi(SiO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.569907553333333,
"spacegroup": 15
},
{
"id": "jvasp-119730",
"created_at": "2022-09-04T14:38:50.474133Z",
"updated_at": "2022-09-04T14:38:50.474157Z",
"structure_string": "Li4 V1 Te3 O12\n1.0\n8.804499 -0.000000 0.000000\n0.000000 4.945177 0.293830\n0.000000 0.034522 5.173005\nLi V Te O\n4 1 3 12\ndirect\n0.305877 0.000000 -0.000000 Li\n0.133172 0.500000 -0.000000 Li\n0.702222 -0.000000 0.500000 Li\n0.824229 0.500000 0.500000 Li\n0.895659 0.000000 -0.000000 V\n0.602501 0.500000 -0.000000 Te\n0.076014 -0.000000 0.500000 Te\n0.397875 0.500000 0.500000 Te\n0.055440 0.789001 0.191424 O\n0.581090 0.292010 0.334491 O\n0.905584 0.198940 0.312345 O\n0.225047 0.219947 0.308321 O\n0.225047 0.780053 0.691678 O\n0.441722 0.278192 0.853942 O\n0.581090 0.707990 0.665508 O\n0.055440 0.210999 0.808575 O\n0.441722 0.721808 0.146057 O\n0.751806 0.259640 0.850916 O\n0.905584 0.801060 0.687654 O\n0.751806 0.740360 0.149083 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"V",
"Te",
"O"
],
"chemical_system": "Li-O-Te-V",
"density": 4.819882086372904,
"density_atomic": 0.08883269744013375,
"volume": 225.14232457568258,
"volume_molar": 6.779193848141839,
"formula_full": "Li4 V1 Te3 O12",
"formula_reduced": "Li4V(TeO4)3",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 2.367264475,
"spacegroup": 3
},
{
"id": "jvasp-117061",
"created_at": "2022-09-04T14:38:49.791086Z",
"updated_at": "2022-09-04T14:38:49.791107Z",
"structure_string": "Ba4 Fe2 Mo2 O12\n1.0\n5.634279 0.000270 0.000716\n-0.000380 7.969235 0.000203\n-0.000728 -0.000139 5.634286\nBa Fe Mo O\n4 2 2 12\ndirect\n-0.000007 0.250001 0.500012 Ba\n0.500007 0.750001 -0.000011 Ba\n0.499996 0.249999 0.000011 Ba\n0.000004 0.750000 0.499988 Ba\n0.500001 0.500000 0.500000 Fe\n-0.000001 -0.000000 -0.000000 Fe\n-0.000003 0.500001 -0.000000 Mo\n0.500007 -0.000000 0.500002 Mo\n0.752666 0.499990 0.752641 O\n0.252657 0.999992 0.252646 O\n0.247360 0.499982 0.752666 O\n0.747352 -0.000016 0.252659 O\n0.247334 0.500011 0.247360 O\n0.000013 0.747320 -0.000037 O\n0.499995 0.752681 0.500018 O\n-0.000011 0.252680 0.000036 O\n0.252647 0.000016 0.747343 O\n0.500004 0.247320 0.499982 O\n0.747342 0.000008 0.747353 O\n0.752640 0.500018 0.247335 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ba",
"Fe",
"Mo",
"O"
],
"chemical_system": "Ba-Fe-Mo-O",
"density": 6.8583210438668685,
"density_atomic": 0.07905623301504726,
"volume": 252.98447999910744,
"volume_molar": 7.617540743250148,
"formula_full": "Ba4 Fe2 Mo2 O12",
"formula_reduced": "Ba2FeMoO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.555545434,
"spacegroup": 225
},
{
"id": "jvasp-111634",
"created_at": "2022-09-04T14:38:53.374764Z",
"updated_at": "2022-09-04T14:38:53.374791Z",
"structure_string": "Na4 V4 F12\n1.0\n5.470026 -0.000000 0.000000\n0.000000 5.716473 0.000000\n0.000000 0.000000 7.866361\nNa V F\n4 4 12\ndirect\n0.483007 0.060809 0.250000 Na\n0.016994 0.560808 0.250000 Na\n0.516994 0.939191 0.750000 Na\n0.983007 0.439191 0.750000 Na\n0.500000 0.500000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.690534 0.195579 0.561658 F\n0.809467 0.695578 0.938341 F\n0.690534 0.195579 0.938341 F\n0.809467 0.695578 0.561658 F\n0.309467 0.804421 0.438342 F\n0.881349 0.948267 0.250000 F\n0.118652 0.051733 0.750000 F\n0.381349 0.551733 0.750000 F\n0.190534 0.304421 0.438342 F\n0.618652 0.448267 0.250000 F\n0.190534 0.304421 0.061658 F\n0.309467 0.804421 0.061658 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"V",
"F"
],
"chemical_system": "F-Na-V",
"density": 3.535453721447347,
"density_atomic": 0.08130899169714031,
"volume": 245.97525541204578,
"volume_molar": 7.406488057841457,
"formula_full": "Na4 V4 F12",
"formula_reduced": "NaVF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.1309768095000001,
"spacegroup": 62
}
]
}