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=-id&page=3668",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=3666",
"results": [
{
"id": "jvasp-117072",
"created_at": "2022-09-04T14:38:45.239564Z",
"updated_at": "2022-09-04T14:38:45.239593Z",
"structure_string": "Mn2 As4 F24\n1.0\n6.839208 0.052454 -6.293592\n-1.281763 6.718229 -6.293592\n-0.043055 -0.052454 9.294203\nMn As F\n2 4 24\ndirect\n0.750000 0.250000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.779354 0.779353 0.000000 As\n0.220647 0.220647 0.000000 As\n0.970647 0.470646 0.500000 As\n0.529353 0.029353 0.500000 As\n0.020996 0.914260 0.202251 F\n0.299883 0.107475 0.341694 F\n0.892525 0.234219 0.192408 F\n0.041811 0.700118 0.807592 F\n0.765781 0.958189 0.658306 F\n0.984219 0.142525 0.692408 F\n0.712008 0.818745 0.797750 F\n0.708189 0.015780 0.158306 F\n0.857475 0.549883 0.841694 F\n0.450117 0.291811 0.307592 F\n0.568746 0.962008 0.297750 F\n0.037992 0.335741 0.606736 F\n0.085740 0.287992 0.106736 F\n0.504227 0.117128 0.714833 F\n0.729004 0.431255 0.393264 F\n0.664260 0.270996 0.702251 F\n0.210606 0.495773 0.612901 F\n0.245773 0.460607 0.112901 F\n0.347704 0.132872 0.887099 F\n0.402296 0.789394 0.285168 F\n0.539393 0.652296 0.785167 F\n0.867129 0.754227 0.214833 F\n0.181255 0.979005 0.893264 F\n0.882872 0.597704 0.387099 F\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Mn",
"As",
"F"
],
"chemical_system": "As-F-Mn",
"density": 3.3962624595308557,
"density_atomic": 0.0708915061443666,
"volume": 423.18186806338514,
"volume_molar": 8.494869255191512,
"formula_full": "Mn2 As4 F24",
"formula_reduced": "MnAs2F12",
"formula_anonymous": "AB2C12",
"energy_above_hull": 0.4434522754252872,
"spacegroup": 122
},
{
"id": "jvasp-117071",
"created_at": "2022-09-04T14:38:48.306735Z",
"updated_at": "2022-09-04T14:38:48.306768Z",
"structure_string": "Li2 Mn4 Ni2 O12\n1.0\n4.944299 0.006243 -0.400146\n-2.513527 4.257628 0.400535\n-0.180573 0.102841 10.060659\nLi Mn Ni O\n2 4 2 12\ndirect\n0.354182 0.854278 0.249992 Li\n0.645818 0.145722 0.750007 Li\n0.166355 0.834264 0.504826 Mn\n0.334264 0.666356 0.995180 Mn\n0.665735 0.333643 0.004819 Mn\n0.833644 0.165735 0.495173 Mn\n0.499999 0.500000 0.500000 Ni\n0.000002 -0.000000 0.000000 Ni\n0.179169 0.158243 0.597087 O\n0.658268 0.679208 0.902911 O\n0.980346 0.341727 0.901351 O\n0.019654 0.658273 0.098647 O\n0.820830 0.841756 0.402912 O\n0.653764 0.981315 0.103298 O\n0.841702 0.480311 0.598648 O\n0.346236 0.018685 0.896700 O\n0.341731 0.320791 0.097086 O\n0.518662 0.846196 0.603295 O\n0.481337 0.153803 0.396704 O\n0.158298 0.519688 0.401351 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Ni",
"O"
],
"chemical_system": "Li-Mn-Ni-O",
"density": 4.262603637978958,
"density_atomic": 0.09454640035421703,
"volume": 211.53634538248122,
"volume_molar": 6.3695082387463895,
"formula_full": "Li2 Mn4 Ni2 O12",
"formula_reduced": "LiMn2NiO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.787915788275862,
"spacegroup": 15
},
{
"id": "jvasp-117070",
"created_at": "2022-09-04T14:38:49.886282Z",
"updated_at": "2022-09-04T14:38:49.886317Z",
"structure_string": "V4 P4 O20\n1.0\n6.210670 -0.000000 0.000000\n0.000000 6.995840 0.000000\n-0.000000 -0.000000 7.588346\nV P O\n4 4 20\ndirect\n0.250000 0.740274 0.666165 V\n0.750000 0.240274 0.833836 V\n0.250000 0.759726 0.166165 V\n0.750000 0.259726 0.333836 V\n0.750000 0.627661 0.618036 P\n0.250000 0.127661 0.881964 P\n0.750000 0.872339 0.118036 P\n0.250000 0.372339 0.381964 P\n0.550580 0.742709 0.120170 O\n0.949420 0.742709 0.120170 O\n0.750000 0.338149 0.134088 O\n0.050580 0.242709 0.379830 O\n0.750000 -0.000728 0.287214 O\n0.250000 0.838149 0.365912 O\n0.250000 0.003956 0.049597 O\n0.750000 0.503956 0.450403 O\n0.750000 0.996044 0.950404 O\n0.750000 0.500728 0.787215 O\n0.050580 0.257291 0.879830 O\n0.250000 0.661851 0.865913 O\n0.449420 0.242709 0.379830 O\n0.250000 0.000728 0.712786 O\n0.750000 0.161851 0.634088 O\n0.949420 0.757291 0.620171 O\n0.550580 0.757291 0.620171 O\n0.250000 0.496044 0.549597 O\n0.449420 0.257291 0.879830 O\n0.250000 0.499272 0.212786 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"V",
"P",
"O"
],
"chemical_system": "O-P-V",
"density": 3.2618454656278293,
"density_atomic": 0.08492441898388636,
"volume": 329.7049345172764,
"volume_molar": 7.091176874748648,
"formula_full": "V4 P4 O20",
"formula_reduced": "VPO5",
"formula_anonymous": "ABC5",
"energy_above_hull": 2.8243796000000003,
"spacegroup": 62
},
{
"id": "jvasp-117068",
"created_at": "2022-09-04T14:38:49.872900Z",
"updated_at": "2022-09-04T14:38:49.872928Z",
"structure_string": "La2 Mg2 Fe2 Cu2 O12\n1.0\n5.174842 0.125048 0.000034\n-0.207746 7.824519 -0.000279\n-0.000040 0.000192 5.355620\nLa Mg Fe Cu O\n2 2 2 2 12\ndirect\n0.989363 0.250566 0.040252 La\n0.489364 0.750569 0.459747 La\n0.533319 0.246471 0.559033 Mg\n0.033318 0.746472 0.940968 Mg\n0.501871 0.502500 0.992693 Fe\n0.001872 0.002500 0.507307 Fe\n0.496676 0.000193 0.004756 Cu\n0.996674 0.500194 0.495242 Cu\n0.769497 0.064292 0.761076 O\n0.269496 0.564293 0.738922 O\n0.427231 0.274566 0.949878 O\n0.927230 0.774566 0.550120 O\n0.697927 0.055878 0.306970 O\n0.139246 0.222649 0.485045 O\n0.680984 0.438406 0.293837 O\n0.180983 0.938406 0.206163 O\n0.263881 0.944476 0.737998 O\n0.639245 0.722649 0.014954 O\n0.197926 0.555878 0.193030 O\n0.763883 0.444475 0.761999 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"La",
"Mg",
"Fe",
"Cu",
"O"
],
"chemical_system": "Cu-Fe-La-Mg-O",
"density": 5.794476589040878,
"density_atomic": 0.09216943999655323,
"volume": 216.99166232048194,
"volume_molar": 6.533771671201652,
"formula_full": "La2 Mg2 Fe2 Cu2 O12",
"formula_reduced": "LaMgFeCuO6",
"formula_anonymous": "ABCDE6",
"energy_above_hull": 2.0064321,
"spacegroup": 7
},
{
"id": "jvasp-117067",
"created_at": "2022-09-04T14:38:47.491116Z",
"updated_at": "2022-09-04T14:38:47.491142Z",
"structure_string": "Li2 Mn4 B4 O12\n1.0\n5.601780 -0.008361 0.977961\n-0.005760 5.275444 0.023328\n-0.105185 0.026280 7.845097\nLi Mn B O\n2 4 4 12\ndirect\n0.046174 0.656071 0.257553 Li\n0.953736 0.344298 0.742675 Li\n0.194694 0.822783 0.559893 Mn\n0.350484 0.704193 0.918265 Mn\n0.650403 0.296169 0.083557 Mn\n0.804481 0.177591 0.437585 Mn\n0.152590 0.174749 0.094867 B\n0.321106 0.322593 0.419462 B\n0.678102 0.676198 0.581025 B\n0.848307 0.826440 0.904638 B\n0.860806 0.803614 0.471705 O\n0.692553 0.424355 0.612926 O\n0.488402 0.815733 0.667638 O\n0.334401 0.323373 0.005419 O\n0.666306 0.676613 0.993274 O\n0.168898 0.917541 0.104784 O\n0.308214 0.574356 0.385879 O\n0.138567 0.197008 0.529522 O\n0.044504 0.695314 0.811232 O\n0.957120 0.307205 0.188542 O\n0.509000 0.180328 0.333202 O\n0.831158 0.083469 0.896362 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.350511035292622,
"density_atomic": 0.09467412117244772,
"volume": 232.376067794992,
"volume_molar": 6.360915406894294,
"formula_full": "Li2 Mn4 B4 O12",
"formula_reduced": "LiMn2(BO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 3.390803695402299,
"spacegroup": 2
},
{
"id": "jvasp-117066",
"created_at": "2022-09-04T14:38:48.166800Z",
"updated_at": "2022-09-04T14:38:48.166828Z",
"structure_string": "Li4 Co4 P4 O16\n1.0\n5.194024 -0.448274 -0.092173\n1.728117 7.356688 -2.176755\n-0.077181 -0.546706 8.806220\nLi Co P O\n4 4 4 16\ndirect\n0.685245 0.477627 0.025192 Li\n0.185233 0.477604 0.525184 Li\n0.451508 0.248881 0.262562 Li\n0.951504 0.248906 0.762552 Li\n0.480923 0.077557 0.543233 Co\n0.155819 0.648929 0.244508 Co\n0.980918 0.077590 0.043231 Co\n0.655808 0.648954 0.744521 Co\n0.477230 0.107470 0.892990 P\n0.977230 0.107446 0.392986 P\n0.159511 0.619070 0.894766 P\n0.659513 0.619040 0.394767 P\n0.910716 0.520113 0.862436 O\n0.410719 0.520077 0.362423 O\n0.819843 0.569009 0.528392 O\n0.319863 0.569035 0.028380 O\n0.808425 0.179448 0.551585 O\n0.308432 0.179477 0.051591 O\n0.726017 0.206441 0.925323 O\n0.565092 0.903829 0.845070 O\n0.328288 0.547079 0.736154 O\n0.828310 0.547039 0.236163 O\n0.071690 0.822716 0.942720 O\n0.571688 0.822686 0.442705 O\n0.816902 0.157470 0.259358 O\n0.065065 0.903800 0.345076 O\n0.226023 0.206409 0.425318 O\n0.316893 0.157483 0.759359 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Co",
"P",
"O"
],
"chemical_system": "Co-Li-O-P",
"density": 3.16933644563958,
"density_atomic": 0.08306311587223258,
"volume": 337.0930611737406,
"volume_molar": 7.250078084312703,
"formula_full": "Li4 Co4 P4 O16",
"formula_reduced": "LiCoPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.4256600571428573,
"spacegroup": 2
},
{
"id": "jvasp-117064",
"created_at": "2022-09-04T14:38:48.151017Z",
"updated_at": "2022-09-04T14:38:48.151033Z",
"structure_string": "Ba2 La2 Mn4 O12\n1.0\n5.541694 -0.001262 -0.000392\n0.001158 5.541694 -0.000378\n0.000666 0.000642 7.828789\nBa La Mn O\n2 2 4 12\ndirect\n0.500000 -0.000000 0.750000 Ba\n0.999999 0.500000 0.250001 Ba\n0.500000 0.999999 0.249998 La\n0.000001 0.499999 0.750002 La\n0.499999 0.500000 0.500000 Mn\n0.500001 0.499999 -0.000000 Mn\n-0.000000 0.000000 1.000000 Mn\n0.000001 -0.000001 0.500000 Mn\n0.250002 0.749997 0.500000 O\n0.750001 0.249998 0.000000 O\n0.000001 -0.000000 0.749998 O\n0.500000 0.499999 0.249996 O\n0.000000 -0.000000 0.250002 O\n0.250003 0.250001 0.500000 O\n0.749997 0.749998 0.500000 O\n0.249998 0.249998 0.000000 O\n0.249998 0.750001 -0.000000 O\n0.750002 0.750002 -0.000000 O\n0.500000 0.499999 0.750004 O\n0.749998 0.250002 0.500000 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ba",
"La",
"Mn",
"O"
],
"chemical_system": "Ba-La-Mn-O",
"density": 6.659490384245182,
"density_atomic": 0.08318601098327258,
"volume": 240.42503978249047,
"volume_molar": 7.239367158993788,
"formula_full": "Ba2 La2 Mn4 O12",
"formula_reduced": "BaLaMn2O6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.677984645275862,
"spacegroup": 225
},
{
"id": "jvasp-117063",
"created_at": "2022-09-04T14:38:46.035202Z",
"updated_at": "2022-09-04T14:38:46.035220Z",
"structure_string": "Li4 Mn2 V6 O16\n1.0\n5.030797 -0.028690 -2.874912\n-3.318999 9.521115 -0.060554\n-0.026101 0.028898 5.794263\nLi Mn V O\n4 2 6 16\ndirect\n0.122106 0.183137 0.061046 Li\n0.130653 0.695951 0.565298 Li\n0.877896 0.316867 0.438955 Li\n0.869357 0.804055 0.934708 Li\n0.499998 0.250001 0.749998 Mn\n0.499994 0.749990 0.249997 Mn\n-0.012944 -0.002161 0.493547 V\n0.012945 0.502163 0.006452 V\n0.504271 -0.002152 0.493591 V\n0.504289 -0.002160 0.010763 V\n0.495712 0.502162 0.489237 V\n0.495729 0.502155 0.006411 V\n0.262465 0.625014 0.899828 O\n0.737787 0.381792 0.644007 O\n0.737589 0.875008 0.137408 O\n0.737777 0.381784 0.093752 O\n0.737527 0.874983 0.600161 O\n0.262220 0.118214 0.406246 O\n0.262210 0.118206 0.855993 O\n0.264010 0.896079 0.632054 O\n0.711983 0.118214 0.856001 O\n0.725173 0.625014 0.362549 O\n0.735991 0.603924 0.867948 O\n0.744235 0.116378 0.372132 O\n0.274845 0.874983 0.137461 O\n0.255766 0.383625 0.127869 O\n0.262403 0.624989 0.362597 O\n0.288018 0.381785 0.644000 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"V",
"O"
],
"chemical_system": "Li-Mn-O-V",
"density": 4.198710793108293,
"density_atomic": 0.10124512126478749,
"volume": 276.5565357640423,
"volume_molar": 5.9480799516751315,
"formula_full": "Li4 Mn2 V6 O16",
"formula_reduced": "Li2MnV3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 3.1812169886699504,
"spacegroup": 166
},
{
"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-117060",
"created_at": "2022-09-04T14:38:46.263392Z",
"updated_at": "2022-09-04T14:38:46.263426Z",
"structure_string": "Li2 V6 O8\n1.0\n4.921006 -0.023402 1.411100\n0.833874 5.024137 -2.823743\n-0.023384 -0.062203 5.886929\nLi V O\n2 6 8\ndirect\n0.000012 0.000039 0.500027 Li\n0.000015 0.499914 0.500016 Li\n0.500014 0.749978 0.000023 V\n0.500013 0.249976 0.000020 V\n0.500013 0.749976 0.500023 V\n0.000025 0.499990 0.000045 V\n0.000000 0.999960 1.000001 V\n0.500014 0.249974 0.500023 V\n0.747429 0.376274 0.752626 O\n0.747416 0.876266 0.752611 O\n0.252612 0.623689 0.247432 O\n0.252601 0.123682 0.247417 O\n0.244107 0.122038 0.744142 O\n0.244112 0.622027 0.744137 O\n0.755916 0.877925 0.255909 O\n0.755917 0.377913 0.255902 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"V",
"O"
],
"chemical_system": "Li-O-V",
"density": 5.128997879561714,
"density_atomic": 0.11042945757950708,
"volume": 144.8888761269185,
"volume_molar": 5.453382541215667,
"formula_full": "Li2 V6 O8",
"formula_reduced": "LiV3O4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 3.132728325,
"spacegroup": 65
},
{
"id": "jvasp-11706",
"created_at": "2022-09-04T14:37:36.456305Z",
"updated_at": "2022-09-04T14:37:36.456326Z",
"structure_string": "V2 Ag2 Hg2 O8\n1.0\n5.495281 0.000000 -0.000000\n-2.747641 5.196334 -0.579799\n-0.000000 -0.249096 7.153845\nV Ag Hg O\n2 2 2 8\ndirect\n0.316807 0.625332 0.771815 V\n0.691474 0.374666 0.228185 V\n0.355414 0.729206 0.283648 Ag\n0.626207 0.270792 0.716353 Ag\n0.006142 -0.000000 0.000000 Hg\n0.965756 -0.000000 0.500000 Hg\n0.226112 0.732140 0.980035 O\n0.493971 0.267859 0.019965 O\n0.494974 0.235844 0.405924 O\n0.259130 0.764155 0.594077 O\n0.082671 0.276752 0.735239 O\n0.805918 0.723246 0.264762 O\n0.957134 0.289250 0.216870 O\n0.667884 0.710749 0.783131 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"V",
"Ag",
"Hg",
"O"
],
"chemical_system": "Ag-Hg-O-V",
"density": 6.910210434418977,
"density_atomic": 0.06880058505845688,
"volume": 203.48664169214268,
"volume_molar": 8.75303713606977,
"formula_full": "V2 Ag2 Hg2 O8",
"formula_reduced": "VAgHgO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.7719557228571423,
"spacegroup": 5
},
{
"id": "jvasp-117059",
"created_at": "2022-09-04T14:38:49.759937Z",
"updated_at": "2022-09-04T14:38:49.759962Z",
"structure_string": "Ba2 Y2 Mn2 Cu2 O10\n1.0\n5.228795 0.011550 1.734338\n-0.586795 5.195780 1.734333\n0.073231 0.082158 8.528534\nBa Y Mn Cu O\n2 2 2 2 10\ndirect\n0.008386 0.008387 0.983241 Ba\n0.508387 0.508387 0.983241 Ba\n0.271869 0.271869 0.456267 Y\n0.771870 0.771869 0.456267 Y\n0.151393 0.651393 0.697210 Mn\n0.651398 0.151398 0.697201 Mn\n0.372346 0.872346 0.255285 Cu\n0.872370 0.372370 0.255236 Cu\n0.611360 0.111360 0.277270 O\n0.111360 0.611360 0.277269 O\n0.424734 0.424730 0.650534 O\n0.924730 0.924734 0.650533 O\n0.029828 0.529829 0.940354 O\n0.424737 0.924737 0.650533 O\n0.529842 0.029842 0.940329 O\n0.111377 0.111375 0.277262 O\n0.924734 0.424734 0.650533 O\n0.611375 0.611377 0.277262 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Ba",
"Y",
"Mn",
"Cu",
"O"
],
"chemical_system": "Ba-Cu-Mn-O-Y",
"density": 6.125423822534336,
"density_atomic": 0.07816873530364746,
"volume": 230.27109150581455,
"volume_molar": 7.704027366704754,
"formula_full": "Ba2 Y2 Mn2 Cu2 O10",
"formula_reduced": "BaYMnCuO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 2.1634407345977005,
"spacegroup": 99
}
]
}