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=648",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=646",
"results": [
{
"id": "jvasp-50958",
"created_at": "2022-09-04T14:36:51.310341Z",
"updated_at": "2022-09-04T14:36:51.310350Z",
"structure_string": "Sm4 Er4 O12\n1.0\n5.716667 -0.000000 0.000000\n0.000000 5.993131 0.000000\n0.000000 0.000000 8.380217\nSm Er O\n4 4 12\ndirect\n0.980328 0.056415 0.250000 Sm\n0.480327 0.443585 0.750000 Sm\n0.519673 0.556415 0.250000 Sm\n0.019673 0.943585 0.750000 Sm\n0.500000 0.000000 0.000000 Er\n0.500000 0.000000 0.500000 Er\n0.000000 0.500000 0.000000 Er\n0.000000 0.500000 0.500000 Er\n0.811651 0.808206 0.074322 O\n0.311651 0.691794 0.574323 O\n0.311651 0.691794 0.925678 O\n0.859642 0.567805 0.750000 O\n0.140359 0.432195 0.250000 O\n0.188349 0.191794 0.574323 O\n0.688350 0.308206 0.425678 O\n0.188349 0.191794 0.925678 O\n0.811651 0.808206 0.425678 O\n0.640359 0.067805 0.750000 O\n0.688350 0.308206 0.074322 O\n0.359641 0.932195 0.250000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sm",
"Er",
"O"
],
"chemical_system": "Er-O-Sm",
"density": 8.458313481200031,
"density_atomic": 0.0696591330954821,
"volume": 287.1123872958038,
"volume_molar": 8.645156051174832,
"formula_full": "Sm4 Er4 O12",
"formula_reduced": "SmErO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.4070218750000003,
"spacegroup": 62
},
{
"id": "jvasp-44052",
"created_at": "2022-09-04T14:36:43.194214Z",
"updated_at": "2022-09-04T14:36:43.194230Z",
"structure_string": "Mg6 W2 O12\n1.0\n0.000000 5.137326 0.003650\n5.333028 0.000000 0.000000\n0.000000 -5.110785 -7.607233\nMg W O\n6 2 12\ndirect\n0.500000 0.500000 0.500000 Mg\n0.731591 0.948040 0.737381 Mg\n0.268407 0.448040 0.762618 Mg\n0.500000 0.000000 0.000000 Mg\n0.731592 0.551960 0.237381 Mg\n0.268408 0.051960 0.262619 Mg\n0.000000 0.500000 0.000000 W\n-0.000001 0.000000 0.500000 W\n0.628925 0.824552 0.444796 O\n0.371075 0.324552 0.055204 O\n0.752405 0.304754 0.417885 O\n0.109041 0.074435 0.737671 O\n0.890959 0.925565 0.262328 O\n0.752404 0.195246 0.917885 O\n0.628924 0.675449 0.944795 O\n0.371075 0.175449 0.555204 O\n0.247595 0.804755 0.082114 O\n0.109041 0.425565 0.237671 O\n0.247595 0.695246 0.582114 O\n0.890958 0.574435 0.762328 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Mg",
"W",
"O"
],
"chemical_system": "Mg-O-W",
"density": 5.623639614456742,
"density_atomic": 0.09600627907777012,
"volume": 208.31970775368714,
"volume_molar": 6.2726530158738365,
"formula_full": "Mg6 W2 O12",
"formula_reduced": "Mg3WO6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 2.098791815,
"spacegroup": 14
},
{
"id": "jvasp-4513",
"created_at": "2022-09-04T14:36:51.171433Z",
"updated_at": "2022-09-04T14:36:51.171451Z",
"structure_string": "Ga2 Ag2 P4 Se12\n1.0\n3.220430 -5.577948 0.000000\n3.220430 5.577948 0.000000\n0.000000 0.000000 13.404891\nGa Ag P Se\n2 2 4 12\ndirect\n0.000000 0.000000 0.750000 Ga\n0.000000 0.000000 0.250000 Ga\n0.666667 0.333333 0.250000 Ag\n0.333333 0.666667 0.750000 Ag\n0.333333 0.666667 0.334759 P\n0.333333 0.666667 0.165241 P\n0.666667 0.333333 0.665241 P\n0.666667 0.333333 0.834759 P\n0.680182 0.984493 0.379672 Se\n0.304312 0.319818 0.379672 Se\n0.015507 0.695689 0.379672 Se\n0.680182 0.695688 0.120328 Se\n0.304311 0.984493 0.120328 Se\n0.984493 0.304311 0.620328 Se\n0.319818 0.015507 0.620328 Se\n0.984493 0.680182 0.879672 Se\n0.695688 0.680182 0.620328 Se\n0.695689 0.015507 0.879672 Se\n0.015507 0.319818 0.120328 Se\n0.319818 0.304312 0.879672 Se\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ga",
"Ag",
"P",
"Se"
],
"chemical_system": "Ag-Ga-P-Se",
"density": 4.91891063719348,
"density_atomic": 0.04152870495430367,
"volume": 481.59459877227346,
"volume_molar": 14.50115231531177,
"formula_full": "Ga2 Ag2 P4 Se12",
"formula_reduced": "GaAg(PSe3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.6092950785,
"spacegroup": 163
},
{
"id": "jvasp-55606",
"created_at": "2022-09-04T14:36:43.202838Z",
"updated_at": "2022-09-04T14:36:43.202864Z",
"structure_string": "Li4 I4 O12\n1.0\n5.206316 0.000000 0.000000\n0.000000 5.836815 0.000000\n0.000000 0.000000 9.341019\nLi I O\n4 4 12\ndirect\n0.977082 0.413927 0.481274 Li\n0.977082 0.086073 0.981274 Li\n0.477081 0.586073 0.518726 Li\n0.477081 0.913928 0.018726 Li\n0.511883 0.422273 0.181478 I\n0.011883 0.577728 0.818522 I\n0.511883 0.077727 0.681478 I\n0.011883 0.922274 0.318522 I\n0.190973 0.832450 0.873464 O\n0.690973 0.332449 0.626536 O\n0.690973 0.167551 0.126536 O\n0.190973 0.667552 0.373464 O\n0.180012 0.527756 0.650263 O\n0.173252 0.142520 0.426214 O\n0.673252 0.857481 0.573787 O\n0.180012 0.972246 0.150263 O\n0.680012 0.027755 0.849738 O\n0.680012 0.472245 0.349737 O\n0.673252 0.642521 0.073786 O\n0.173252 0.357480 0.926214 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"I",
"O"
],
"chemical_system": "I-Li-O",
"density": 4.255068622511334,
"density_atomic": 0.07045783391051742,
"volume": 283.85771872295027,
"volume_molar": 8.54715568981047,
"formula_full": "Li4 I4 O12",
"formula_reduced": "LiIO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.4073033549999998,
"spacegroup": 33
},
{
"id": "jvasp-29466",
"created_at": "2022-09-04T14:37:03.978105Z",
"updated_at": "2022-09-04T14:37:03.978140Z",
"structure_string": "Pb6 S2 O12\n1.0\n5.848965 -0.045335 -0.089597\n-0.251021 7.066620 -1.576908\n-0.034725 -0.050795 8.135102\nPb S O\n6 2 12\ndirect\n0.741678 0.603160 0.411667 Pb\n0.251793 0.918590 0.624111 Pb\n0.230970 0.778130 0.150431 Pb\n0.769029 0.221871 0.849569 Pb\n0.258321 0.396841 0.588333 Pb\n0.748206 0.081412 0.375888 Pb\n0.271798 0.292617 0.139566 S\n0.728201 0.707385 0.860433 S\n0.766151 0.840482 0.025363 O\n0.007285 0.173423 0.623705 O\n0.233847 0.159520 0.974636 O\n0.492168 0.816530 0.377275 O\n0.500638 0.391568 0.149850 O\n0.499361 0.608434 0.850149 O\n0.907217 0.561835 0.831534 O\n0.992713 0.826578 0.376294 O\n0.744121 0.816723 0.722922 O\n0.092782 0.438166 0.168465 O\n0.255878 0.183279 0.277078 O\n0.507830 0.183471 0.622725 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Pb",
"S",
"O"
],
"chemical_system": "O-Pb-S",
"density": 7.417352319459651,
"density_atomic": 0.05958468683292874,
"volume": 335.656710860604,
"volume_molar": 10.10685979920589,
"formula_full": "Pb6 S2 O12",
"formula_reduced": "Pb3SO6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 1.905317346,
"spacegroup": 2
},
{
"id": "jvasp-119723",
"created_at": "2022-09-04T14:38:36.922497Z",
"updated_at": "2022-09-04T14:38:36.922517Z",
"structure_string": "Li4 Ti2 Co4 O10\n1.0\n4.804819 -0.064564 1.672927\n1.771828 4.737695 0.626964\n-0.093454 -0.062438 7.700556\nLi Ti Co O\n4 2 4 10\ndirect\n0.104181 0.496182 0.793931 Li\n0.199441 -0.000537 0.598820 Li\n0.506685 0.512616 0.001400 Li\n0.795709 -0.002376 0.404886 Li\n0.683518 0.506008 0.611066 Ti\n-0.009148 0.003173 0.997980 Ti\n0.923609 0.486850 0.203030 Co\n0.608086 0.000505 0.791737 Co\n0.297037 0.495517 0.389644 Co\n0.383286 0.015970 0.216579 Co\n0.933672 0.732942 0.598207 O\n0.149867 0.762743 0.185722 O\n0.036471 0.254003 0.417135 O\n0.346218 0.748726 0.798493 O\n0.547609 0.734970 0.407927 O\n0.668890 0.244439 0.185686 O\n0.250979 0.228423 -0.004704 O\n0.464542 0.264166 0.595850 O\n0.757933 0.762076 0.005752 O\n0.851427 0.253604 0.800860 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Co",
"O"
],
"chemical_system": "Co-Li-O-Ti",
"density": 4.8732925304778885,
"density_atomic": 0.11304411778396384,
"volume": 176.92207601833442,
"volume_molar": 5.327248226669151,
"formula_full": "Li4 Ti2 Co4 O10",
"formula_reduced": "Li2TiCo2O5",
"formula_anonymous": "AB2C2D5",
"energy_above_hull": 2.6543847633333337,
"spacegroup": 1
},
{
"id": "jvasp-55730",
"created_at": "2022-09-04T14:38:36.904119Z",
"updated_at": "2022-09-04T14:38:36.904134Z",
"structure_string": "Li4 Be4 H12\n1.0\n4.388421 0.000000 0.000000\n-0.000000 4.530747 0.000000\n0.000000 0.000000 6.282258\nLi Be H\n4 4 12\ndirect\n0.489789 0.446797 0.750000 Li\n0.989789 0.053204 0.250000 Li\n0.010210 0.946797 0.750000 Li\n0.510210 0.553204 0.250000 Li\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n0.000000 0.500000 0.500000 Be\n0.500000 0.000000 0.500000 Be\n0.794340 0.795199 0.040458 H\n0.294340 0.704802 0.959542 H\n0.705660 0.295199 0.040458 H\n0.205660 0.204802 0.959542 H\n0.794340 0.795199 0.459542 H\n0.079315 0.479748 0.250000 H\n0.420685 0.979748 0.250000 H\n0.920685 0.520253 0.750000 H\n0.205660 0.204802 0.540458 H\n0.579315 0.020253 0.750000 H\n0.294340 0.704802 0.540458 H\n0.705660 0.295199 0.459542 H\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Be",
"H"
],
"chemical_system": "Be-H-Li",
"density": 1.0091200331652015,
"density_atomic": 0.16011651591639225,
"volume": 124.9090381809417,
"volume_molar": 3.761099050609227,
"formula_full": "Li4 Be4 H12",
"formula_reduced": "LiBeH3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.14289522,
"spacegroup": 62
},
{
"id": "jvasp-118974",
"created_at": "2022-09-04T14:38:31.341473Z",
"updated_at": "2022-09-04T14:38:31.341493Z",
"structure_string": "Ca4 Fe2 Os2 O12\n1.0\n5.571793 0.000000 0.000000\n-0.000000 4.399933 3.082192\n-0.000000 -0.012842 9.363963\nCa Fe Os O\n4 2 2 12\ndirect\n0.442349 0.765272 0.749151 Ca\n0.057651 0.765272 0.249151 Ca\n0.557650 0.234728 0.250848 Ca\n0.942349 0.234728 0.750848 Ca\n0.000000 0.000000 0.500000 Fe\n0.500000 -0.000000 -0.000000 Fe\n0.500000 0.500000 0.500000 Os\n0.000000 0.500000 -0.000000 Os\n0.972181 0.347468 0.247371 O\n0.527818 0.347468 0.747371 O\n0.205690 0.256875 0.549556 O\n0.294310 0.256875 0.049556 O\n0.794310 0.743124 0.450443 O\n0.800720 0.154675 0.048202 O\n0.199279 0.845325 0.951798 O\n0.300720 0.845324 0.451798 O\n0.472181 0.652532 0.252629 O\n0.699279 0.154676 0.548201 O\n0.705690 0.743125 0.950443 O\n0.027818 0.652532 0.752629 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"Fe",
"Os",
"O"
],
"chemical_system": "Ca-Fe-O-Os",
"density": 6.1024995365896295,
"density_atomic": 0.08703866970707627,
"volume": 229.7829236971207,
"volume_molar": 6.918925553742003,
"formula_full": "Ca4 Fe2 Os2 O12",
"formula_reduced": "Ca2FeOsO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.536390234,
"spacegroup": 14
},
{
"id": "jvasp-112763",
"created_at": "2022-09-04T14:38:42.189140Z",
"updated_at": "2022-09-04T14:38:42.189166Z",
"structure_string": "Li6 Mn2 Co2 O10\n1.0\n2.819639 0.000246 -0.390061\n-0.106164 5.706650 -0.764320\n-0.019924 0.003127 10.241615\nLi Mn Co O\n6 2 2 10\ndirect\n0.600016 0.300002 0.199994 Li\n0.600019 0.800001 0.199995 Li\n0.007424 0.510753 0.014628 Li\n0.192606 0.089252 0.385378 Li\n0.398706 0.696929 0.797425 Li\n0.801176 0.903045 0.602584 Li\n0.196781 0.602488 0.393609 Mn\n0.003184 0.997521 0.006389 Mn\n0.399914 0.200727 0.799785 Co\n0.800119 0.399272 0.600214 Co\n0.702088 0.827008 0.404201 O\n0.495675 0.228309 0.991327 O\n0.704338 0.371701 0.408674 O\n0.092259 0.048398 0.184531 O\n0.107734 0.551609 0.215471 O\n0.895456 0.423325 0.790868 O\n0.304589 0.176673 0.609132 O\n0.296972 0.625554 0.593938 O\n0.903060 0.974445 0.806064 O\n0.497916 0.772998 -0.004199 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.327611820281554,
"density_atomic": 0.12139054926219457,
"volume": 164.75747182592843,
"volume_molar": 4.960963432987376,
"formula_full": "Li6 Mn2 Co2 O10",
"formula_reduced": "Li3MnCoO5",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 2.396949564137931,
"spacegroup": 12
},
{
"id": "jvasp-52105",
"created_at": "2022-09-04T14:38:31.308298Z",
"updated_at": "2022-09-04T14:38:31.308316Z",
"structure_string": "Na6 Y2 Cl12\n1.0\n0.000000 6.753840 -0.027092\n7.261680 0.000000 0.000000\n0.000000 -6.596164 -10.071224\nNa Y Cl\n6 2 12\ndirect\n0.500000 0.500000 0.500000 Na\n0.500000 0.000000 -0.000000 Na\n0.289840 0.913729 0.257451 Na\n0.710160 0.413729 0.242549 Na\n0.710160 0.086271 0.742549 Na\n0.289840 0.586271 0.757451 Na\n0.000000 0.000000 0.500000 Y\n0.000000 0.500000 0.000000 Y\n0.094893 0.563039 0.241701 Cl\n0.905107 0.063039 0.258298 Cl\n0.612095 0.179730 0.431165 Cl\n0.387905 0.679730 0.068834 Cl\n0.387906 0.820270 0.568834 Cl\n0.247531 0.308292 0.579274 Cl\n0.752469 0.691708 0.420725 Cl\n0.752470 0.808292 0.920725 Cl\n0.247531 0.191708 0.079274 Cl\n0.094893 0.936961 0.741701 Cl\n0.612095 0.320270 0.931165 Cl\n0.905107 0.436961 0.758298 Cl\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Y",
"Cl"
],
"chemical_system": "Cl-Na-Y",
"density": 2.4852315632320385,
"density_atomic": 0.04038502596049507,
"volume": 495.233060381443,
"volume_molar": 14.911815993113144,
"formula_full": "Na6 Y2 Cl12",
"formula_reduced": "Na3YCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 5.551115123125783e-17,
"spacegroup": 14
},
{
"id": "jvasp-24954",
"created_at": "2022-09-04T14:38:31.829520Z",
"updated_at": "2022-09-04T14:38:31.829549Z",
"structure_string": "Nb2 Tl5 S4 Br9\n1.0\n6.721929 0.000117 -2.565668\n-1.933770 8.579160 -5.066027\n0.029111 0.004725 10.163266\nNb Tl S Br\n2 5 4 9\ndirect\n0.409410 0.909394 0.818788 Nb\n0.590590 0.090606 0.181212 Nb\n0.163263 0.880386 0.326525 Tl\n0.500000 0.500000 -0.000000 Tl\n0.836736 0.553859 0.673474 Tl\n0.836737 0.119614 0.673474 Tl\n0.163264 0.446141 0.326526 Tl\n0.750183 0.900103 0.000005 S\n0.249817 0.099897 0.999994 S\n0.750182 0.099903 0.000006 S\n0.249818 0.900096 0.999994 S\n-0.000000 0.500000 -0.000000 Br\n0.535416 0.784629 0.569258 Br\n0.464584 0.215371 0.430742 Br\n0.364647 0.130495 0.729259 Br\n0.635354 0.401236 0.270741 Br\n0.033872 0.784624 0.569248 Br\n0.966128 0.215376 0.430752 Br\n0.364646 0.598764 0.729259 Br\n0.635353 0.869504 0.270741 Br\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Nb",
"Tl",
"S",
"Br"
],
"chemical_system": "Br-Nb-S-Tl",
"density": 5.814371178749718,
"density_atomic": 0.03407574454261571,
"volume": 586.9277478291826,
"volume_molar": 17.672807566885613,
"formula_full": "Nb2 Tl5 S4 Br9",
"formula_reduced": "Nb2Tl5S4Br9",
"formula_anonymous": "A2B4C5D9",
"energy_above_hull": 0.8778534372500002,
"spacegroup": 71
},
{
"id": "jvasp-55030",
"created_at": "2022-09-04T14:38:31.803944Z",
"updated_at": "2022-09-04T14:38:31.803970Z",
"structure_string": "Dy12 Al8\n1.0\n8.211412 0.000000 0.000000\n-0.000000 8.211412 0.000000\n0.000000 0.000000 7.549840\nDy Al\n12 8\ndirect\n0.500000 0.000000 0.506190 Dy\n0.350479 0.649520 0.756197 Dy\n0.796992 0.796992 0.756209 Dy\n0.000000 0.500000 0.006190 Dy\n0.703008 0.296992 0.256209 Dy\n0.149521 0.149521 0.256196 Dy\n0.850479 0.850479 0.256196 Dy\n0.203008 0.203008 0.756209 Dy\n0.296992 0.703008 0.256209 Dy\n0.000000 0.500000 0.506190 Dy\n0.649520 0.350479 0.756197 Dy\n0.500000 0.000000 0.006190 Dy\n0.880665 0.119335 0.562153 Al\n0.619335 0.619335 0.062153 Al\n0.619341 0.619341 0.450250 Al\n0.119335 0.880665 0.562153 Al\n0.119341 0.880659 0.950250 Al\n0.380665 0.380665 0.062153 Al\n0.880659 0.119341 0.950250 Al\n0.380659 0.380659 0.450250 Al\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Dy",
"Al"
],
"chemical_system": "Al-Dy",
"density": 7.0648753209056,
"density_atomic": 0.03928769609652579,
"volume": 509.0652287388417,
"volume_molar": 15.328312317434511,
"formula_full": "Dy12 Al8",
"formula_reduced": "Dy3Al2",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.55144502,
"spacegroup": 136
}
]
}