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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=85",
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"results": [
{
"id": "jvasp-119349",
"created_at": "2022-09-04T14:38:49.220507Z",
"updated_at": "2022-09-04T14:38:49.220535Z",
"structure_string": "Li4 Mn1 P6 O18\n1.0\n6.638374 0.115127 -2.623276\n-2.174226 6.472070 -2.539025\n0.463874 -0.389218 7.555465\nLi Mn P O\n4 1 6 18\ndirect\n0.389827 0.145143 0.572841 Li\n0.482998 0.529387 0.986201 Li\n0.602122 0.845724 0.416360 Li\n0.229902 0.941435 0.099892 Li\n0.796983 0.072282 0.927391 Mn\n0.994491 0.750694 0.323603 P\n0.220155 0.447215 0.247601 P\n0.317916 0.766040 0.672807 P\n0.680652 0.228306 0.330858 P\n0.009325 0.253653 0.676392 P\n0.776516 0.548317 0.749783 P\n0.293977 0.527211 0.500028 O\n0.092407 0.785898 0.566205 O\n0.771391 0.734634 0.260626 O\n0.379445 0.566038 0.212119 O\n0.010378 0.515073 0.195285 O\n0.345685 0.772343 0.878012 O\n0.845048 0.784531 0.864391 O\n0.704816 0.468243 0.497069 O\n0.231943 0.271176 0.741263 O\n0.657419 0.217001 0.123671 O\n0.987558 0.484194 0.804354 O\n0.619016 0.426912 0.785044 O\n0.480700 0.918593 0.665240 O\n0.909966 0.213510 0.435066 O\n0.521903 0.077335 0.339682 O\n0.863326 0.093657 0.689333 O\n0.143466 0.209401 0.129931 O\n0.140644 0.906057 0.308932 O\n",
"nsites": 29,
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"elements": [
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"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.8394705921186927,
"density_atomic": 0.08910349041203537,
"volume": 325.46424237588474,
"volume_molar": 6.758591310118396,
"formula_full": "Li4 Mn1 P6 O18",
"formula_reduced": "Li4Mn(PO3)6",
"formula_anonymous": "AB4C6D18",
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"spacegroup": 1
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{
"id": "jvasp-117041",
"created_at": "2022-09-04T14:38:49.430805Z",
"updated_at": "2022-09-04T14:38:49.430836Z",
"structure_string": "Li1 Cu6 O1 F11\n1.0\n5.667936 0.043637 0.281013\n-0.442435 4.680425 -0.473125\n-0.057292 0.097987 8.166608\nLi Cu O F\n1 6 1 11\ndirect\n0.939254 0.193418 0.286889 Li\n0.013921 0.987262 0.975196 Cu\n0.509898 0.489680 0.003462 Cu\n0.350910 0.978795 0.314486 Cu\n0.712778 0.638046 0.367206 Cu\n0.181705 0.496324 0.656037 Cu\n0.675649 0.001766 0.679521 Cu\n0.512585 0.691727 0.208046 O\n0.205880 0.705373 0.874919 F\n0.485299 0.286579 0.783314 F\n0.869216 0.707274 0.573131 F\n0.406787 0.783291 0.565559 F\n0.018113 0.809332 0.259064 F\n0.178801 0.280540 0.437154 F\n0.829529 0.265202 0.087961 F\n0.971280 0.207267 0.749898 F\n0.290575 0.190997 0.085877 F\n0.652219 0.208702 0.406314 F\n0.720619 0.772868 0.904718 F\n",
"nsites": 19,
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"elements": [
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"Cu",
"O",
"F"
],
"chemical_system": "Cu-F-Li-O",
"density": 4.689513042009446,
"density_atomic": 0.08750460934458841,
"volume": 217.13141904535598,
"volume_molar": 6.882084046893045,
"formula_full": "Li1 Cu6 O1 F11",
"formula_reduced": "LiCu6OF11",
"formula_anonymous": "ABC6D11",
"energy_above_hull": 0.0,
"spacegroup": 1
},
{
"id": "jvasp-119390",
"created_at": "2022-09-04T14:38:49.496547Z",
"updated_at": "2022-09-04T14:38:49.496579Z",
"structure_string": "Li3 V6 O3 F15\n1.0\n5.088421 0.005991 0.088686\n-2.510973 4.798487 -0.334264\n-0.010127 -0.093335 12.509778\nLi V O F\n3 6 3 15\ndirect\n0.598209 0.224064 0.107667 Li\n0.595524 0.200357 0.586774 Li\n0.291972 0.565583 0.922928 Li\n0.331665 0.640120 0.167957 V\n0.020617 0.022457 0.003154 V\n0.319120 0.659038 0.674698 V\n0.016070 0.005082 0.494187 V\n0.648117 0.322376 0.344035 V\n0.697069 0.353947 0.829499 V\n0.390153 0.189923 0.449362 O\n0.076391 0.538387 0.786753 O\n0.275497 0.335950 0.082767 O\n0.235243 0.799928 0.032635 F\n0.455536 0.545207 0.296824 F\n0.020837 0.337741 0.580169 F\n0.388395 0.012685 0.234373 F\n0.858837 0.107460 0.371237 F\n0.789950 0.233748 0.968557 F\n0.550559 0.447105 0.696174 F\n0.900216 0.460437 0.207420 F\n0.627839 0.996567 0.754030 F\n0.951537 0.647612 0.423089 F\n0.702906 0.686835 0.915801 F\n0.592373 0.820184 0.549029 F\n0.263064 0.171077 0.873372 F\n0.156238 0.906112 0.626544 F\n0.748497 0.876619 0.124857 F\n",
"nsites": 27,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.5843794808284306,
"density_atomic": 0.08837903343611561,
"volume": 305.5023227824372,
"volume_molar": 6.813992556677007,
"formula_full": "Li3 V6 O3 F15",
"formula_reduced": "LiV2OF5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.1312614791666666,
"spacegroup": 1
},
{
"id": "jvasp-117272",
"created_at": "2022-09-04T14:38:49.739019Z",
"updated_at": "2022-09-04T14:38:49.739028Z",
"structure_string": "Co6 O5 F7\n1.0\n6.642497 -0.050336 1.972332\n1.163680 5.009928 1.543933\n0.031915 0.024278 5.383016\nCo O F\n6 5 7\ndirect\n0.840953 0.673003 0.701697 Co\n0.320195 0.673776 0.626680 Co\n0.664613 0.361804 0.316432 Co\n0.171483 0.308248 0.333491 Co\n0.498232 0.981187 0.012624 Co\n0.001288 0.990553 0.014965 Co\n0.668320 0.649556 0.035578 O\n0.331056 0.963288 0.348218 O\n0.038336 0.770991 0.778600 O\n0.370342 0.436383 0.416522 O\n0.960905 0.228722 0.231181 O\n0.338999 0.360814 0.941373 F\n0.660043 0.056522 0.638356 F\n0.635012 0.586388 0.575821 F\n0.309380 0.887365 0.889940 F\n0.691434 0.095602 0.106719 F\n-0.000377 0.290373 0.710641 F\n0.999794 0.685424 0.321158 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Co",
"O",
"F"
],
"chemical_system": "Co-F-O",
"density": 5.257757752273952,
"density_atomic": 0.10059095080756077,
"volume": 178.9425376288128,
"volume_molar": 5.986761941957263,
"formula_full": "Co6 O5 F7",
"formula_reduced": "Co6O5F7",
"formula_anonymous": "A5B6C7",
"energy_above_hull": 2.0613297154166665,
"spacegroup": 1
},
{
"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",
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"spacegroup": 1
},
{
"id": "jvasp-119539",
"created_at": "2022-09-04T14:38:50.240498Z",
"updated_at": "2022-09-04T14:38:50.240507Z",
"structure_string": "Li4 Mn2 P2 C2 O14\n1.0\n4.905683 -0.204918 -0.494624\n-0.307074 6.064731 -0.620597\n-0.285295 -0.712353 8.577930\nLi Mn P C O\n4 2 2 2 14\ndirect\n0.580798 0.972943 0.220265 Li\n0.718370 0.520034 0.233866 Li\n0.278645 0.535768 0.811806 Li\n0.645024 0.125833 0.888785 Li\n0.168996 0.230592 0.341076 Mn\n0.855155 0.785763 0.663734 Mn\n0.281333 0.751293 0.423497 P\n0.735881 0.263288 0.576602 P\n0.220402 0.251752 0.040874 C\n0.822679 0.741158 0.967404 C\n0.642667 0.769131 0.838328 O\n0.927928 0.479545 0.655057 O\n0.783189 0.093882 0.689591 O\n0.195969 0.842139 0.586922 O\n0.435625 0.310607 0.556765 O\n0.585109 0.706473 0.437012 O\n0.714969 0.729963 0.093126 O\n0.092541 0.533622 0.340459 O\n0.241515 0.924280 0.311269 O\n0.403273 0.256622 0.175144 O\n0.321764 0.275590 0.916221 O\n-0.033784 0.222286 0.054963 O\n0.819836 0.166343 0.410662 O\n0.071768 0.734906 0.950348 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-O-P",
"density": 2.9553159124807213,
"density_atomic": 0.09542790352674782,
"volume": 251.49876622064696,
"volume_molar": 6.310670713112788,
"formula_full": "Li4 Mn2 P2 C2 O14",
"formula_reduced": "Li2MnPCO7",
"formula_anonymous": "ABCD2E7",
"energy_above_hull": 3.0321564367816096,
"spacegroup": 1
},
{
"id": "jvasp-116074",
"created_at": "2022-09-04T14:38:50.461696Z",
"updated_at": "2022-09-04T14:38:50.461722Z",
"structure_string": "O1 F3\n1.0\n4.377273 0.521537 0.785177\n-0.691184 -3.999768 0.060208\n0.113550 0.847653 -3.097877\nO F\n1 3\ndirect\n0.471790 -0.026758 0.520756 O\n0.753396 0.963575 0.352372 F\n0.116408 0.698904 -0.000547 F\n0.467204 0.333034 0.619586 F\n",
"nsites": 4,
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"elements": [
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],
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"density": 2.2957426657309394,
"density_atomic": 0.07576058321187087,
"volume": 52.797904007862,
"volume_molar": 7.948910244207828,
"formula_full": "O1 F3",
"formula_reduced": "OF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.520471086875,
"spacegroup": 1
},
{
"id": "jvasp-119425",
"created_at": "2022-09-04T14:38:50.068024Z",
"updated_at": "2022-09-04T14:38:50.068056Z",
"structure_string": "Fe10 O9 F11\n1.0\n4.669857 -0.029527 0.020744\n-0.300965 4.649727 -0.008112\n0.074779 0.004441 15.099331\nFe O F\n10 9 11\ndirect\n0.016523 0.960110 0.005956 Fe\n0.033982 0.011534 0.194432 Fe\n0.983781 0.987438 0.401762 Fe\n0.029108 0.021540 0.610884 Fe\n0.027825 0.014774 0.793305 Fe\n0.464524 0.507012 0.093176 Fe\n0.480048 0.479539 0.490464 Fe\n0.493284 0.487057 0.303934 Fe\n0.450478 0.507566 0.698563 Fe\n0.503245 0.473864 0.908424 Fe\n0.690848 0.688703 0.396668 O\n0.700404 0.696068 0.000334 O\n0.307270 0.302547 0.803072 O\n0.305045 0.326181 0.592331 O\n0.291825 0.290597 0.394435 O\n0.315567 0.316110 0.205491 O\n0.281074 0.278514 -0.000040 O\n0.208173 0.813837 0.705771 O\n0.191434 0.802288 0.100829 O\n0.197110 0.799473 0.300004 F\n0.201921 0.805298 0.500240 F\n0.208452 0.785508 0.899778 F\n0.703481 0.706764 0.206921 F\n0.708137 0.719715 0.598105 F\n0.716566 0.710093 0.799739 F\n0.786609 0.205940 0.101951 F\n0.799354 0.200955 0.500928 F\n0.806514 0.192761 0.297808 F\n0.815585 0.181168 0.895592 F\n0.781827 0.227046 0.699143 F\n",
"nsites": 30,
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"elements": [
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],
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"density_atomic": 0.09154184020212627,
"volume": 327.71899640382344,
"volume_molar": 6.578566420232528,
"formula_full": "Fe10 O9 F11",
"formula_reduced": "Fe10O9F11",
"formula_anonymous": "A9B10C11",
"energy_above_hull": 2.27314132025,
"spacegroup": 1
},
{
"id": "jvasp-121316",
"created_at": "2022-09-04T14:38:50.141975Z",
"updated_at": "2022-09-04T14:38:50.142002Z",
"structure_string": "Li7 Mn4 Co1 O12\n1.0\n4.888965 -0.106016 0.427162\n0.798979 4.733614 1.428726\n0.075873 0.134440 8.579456\nLi Mn Co O\n7 4 1 12\ndirect\n0.247131 0.413390 0.080559 Li\n0.752647 0.581809 0.904819 Li\n0.244034 0.750164 0.744144 Li\n0.242949 0.088324 0.425469 Li\n0.751794 0.250034 0.253170 Li\n0.760404 0.920184 0.589094 Li\n0.000356 0.333365 0.667314 Li\n-0.000054 0.005353 0.992089 Mn\n0.500274 0.495298 0.506845 Mn\n0.000012 0.665064 0.336905 Mn\n0.499990 0.830848 0.168749 Mn\n0.499958 0.166636 0.831629 Co\n0.128752 0.022316 0.202135 O\n0.630165 0.183449 0.038322 O\n0.132760 0.343949 0.881660 O\n0.137963 0.703291 0.527140 O\n0.626207 0.856035 0.371226 O\n0.607416 0.523479 0.704568 O\n0.369732 0.811700 0.964793 O\n0.868018 0.963490 0.805321 O\n0.392629 0.145573 0.627355 O\n0.373942 0.476561 0.296327 O\n0.870721 0.646402 0.128809 O\n0.862186 0.323266 0.451571 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.350049447454472,
"density_atomic": 0.12107853030390821,
"volume": 198.2184615204676,
"volume_molar": 4.973747818778748,
"formula_full": "Li7 Mn4 Co1 O12",
"formula_reduced": "Li7Mn4CoO12",
"formula_anonymous": "AB4C7D12",
"energy_above_hull": 2.786429661063218,
"spacegroup": 1
},
{
"id": "jvasp-118112",
"created_at": "2022-09-04T14:38:50.710155Z",
"updated_at": "2022-09-04T14:38:50.710184Z",
"structure_string": "Cl1 O3\n1.0\n6.186064 -0.766959 0.056865\n-2.962253 -4.273488 -0.622347\n-0.100019 1.657610 -1.987011\nCl O\n1 3\ndirect\n0.906000 -0.002708 -0.029383 Cl\n0.567511 0.262145 0.770419 O\n0.373043 0.702133 0.202662 O\n0.359327 0.956978 0.521356 O\n",
"nsites": 4,
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"elements": [
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],
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"density": 2.1970260470821117,
"density_atomic": 0.06341814192479986,
"volume": 63.073434171930344,
"volume_molar": 9.495927469998964,
"formula_full": "Cl1 O3",
"formula_reduced": "ClO3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.955746141875,
"spacegroup": 1
},
{
"id": "jvasp-117822",
"created_at": "2022-09-04T14:38:50.313698Z",
"updated_at": "2022-09-04T14:38:50.313722Z",
"structure_string": "Br2 O2\n1.0\n4.226016 -0.064451 0.353215\n0.983346 -4.236906 0.012001\n-0.687034 2.924487 -4.624262\nBr O\n2 2\ndirect\n0.069840 0.047245 0.973226 Br\n0.652114 0.278728 0.529390 Br\n0.479659 0.117358 0.088863 O\n0.865052 0.445096 0.948992 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Br",
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],
"chemical_system": "Br-O",
"density": 3.8678952359649754,
"density_atomic": 0.04857598284099222,
"volume": 82.34522012850529,
"volume_molar": 12.397362663176105,
"formula_full": "Br2 O2",
"formula_reduced": "BrO",
"formula_anonymous": "AB",
"energy_above_hull": 0.9097688025,
"spacegroup": 1
},
{
"id": "jvasp-119645",
"created_at": "2022-09-04T14:38:50.324901Z",
"updated_at": "2022-09-04T14:38:50.324912Z",
"structure_string": "Ta1 Nb1 Cu3 O8\n1.0\n5.224224 0.001239 0.672442\n2.020361 4.866462 1.553497\n-0.005859 0.019609 6.029318\nTa Nb Cu O\n1 1 3 8\ndirect\n0.776717 0.464717 0.349240 Ta\n0.220623 0.537687 0.653130 Nb\n0.999973 0.001052 0.001204 Cu\n0.544909 0.925802 0.760043 Cu\n0.455655 0.075603 0.238354 Cu\n0.763148 0.800485 0.098408 O\n0.240728 0.197148 0.904105 O\n0.737890 0.255363 0.165317 O\n0.261699 0.748845 0.834718 O\n0.827491 0.683082 0.596021 O\n0.168286 0.313096 0.401090 O\n0.637359 0.262307 0.633668 O\n0.365514 0.734815 0.364703 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
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"Nb",
"Cu",
"O"
],
"chemical_system": "Cu-Nb-O-Ta",
"density": 6.423755133574256,
"density_atomic": 0.08487974568471547,
"volume": 153.15785756814475,
"volume_molar": 7.094909052118454,
"formula_full": "Ta1 Nb1 Cu3 O8",
"formula_reduced": "TaNbCu3O8",
"formula_anonymous": "ABC3D8",
"energy_above_hull": 2.71644215,
"spacegroup": 1
}
]
}