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=-nelements&page=607",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=605",
"results": [
{
"id": "jvasp-122006",
"created_at": "2022-09-04T14:38:54.350610Z",
"updated_at": "2022-09-04T14:38:54.350635Z",
"structure_string": "Li5 Mn1 Co2 O8\n1.0\n5.417425 -0.019368 1.573325\n2.462750 4.825321 1.573325\n0.043035 0.026246 4.957196\nLi Mn Co O\n5 1 2 8\ndirect\n0.746570 0.746570 0.502219 Li\n0.268151 0.731849 0.499999 Li\n0.731849 0.268151 0.499999 Li\n0.253430 0.253430 0.497780 Li\n0.500000 0.500000 -0.000001 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 -0.000000 -0.000000 Co\n0.000000 0.500000 -0.000000 Co\n0.638913 0.638913 0.221655 O\n0.113349 0.638792 0.227930 O\n0.638792 0.113348 0.227931 O\n0.129614 0.129614 0.220618 O\n0.870386 0.870386 0.779381 O\n0.361208 0.886652 0.772068 O\n0.886651 0.361208 0.772068 O\n0.361087 0.361087 0.778344 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.306344886254274,
"density_atomic": 0.12367478654995732,
"volume": 129.37155944503647,
"volume_molar": 4.869335883241981,
"formula_full": "Li5 Mn1 Co2 O8",
"formula_reduced": "Li5Mn(CoO4)2",
"formula_anonymous": "AB2C5D8",
"energy_above_hull": 2.498697315086207,
"spacegroup": 12
},
{
"id": "jvasp-116801",
"created_at": "2022-09-04T14:38:45.726238Z",
"updated_at": "2022-09-04T14:38:45.726267Z",
"structure_string": "Pr4 B4 Mo2 O18\n1.0\n5.163476 -0.017445 1.264555\n1.636573 6.606216 1.868033\n-0.005225 -0.017722 10.608445\nPr B Mo O\n4 4 2 18\ndirect\n0.844844 0.794832 0.952547 Pr\n0.370184 0.079547 0.685312 Pr\n0.629817 0.920453 0.314688 Pr\n0.155157 0.205168 0.047453 Pr\n0.739245 0.249084 0.843099 B\n0.457549 0.589469 0.862286 B\n0.542452 0.410531 0.137714 B\n0.260756 0.750916 0.156900 B\n0.966560 0.291067 0.418692 Mo\n0.033441 0.708933 0.581307 Mo\n0.310000 0.185080 0.442448 O\n0.475549 0.782688 0.855718 O\n0.691732 0.458332 0.813330 O\n0.145751 0.443870 0.622778 O\n0.546495 0.144710 0.859760 O\n0.009024 0.863505 0.134800 O\n0.690001 0.814920 0.557552 O\n0.230460 0.791693 0.428904 O\n0.767071 0.475308 0.076940 O\n0.990977 0.136495 0.865199 O\n0.232930 0.524692 0.923059 O\n0.453506 0.855290 0.140240 O\n0.769541 0.208307 0.571095 O\n0.524452 0.217312 0.144282 O\n0.079487 0.828355 0.701112 O\n0.920514 0.171645 0.298887 O\n0.854250 0.556130 0.377221 O\n0.308269 0.541669 0.186669 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Pr",
"B",
"Mo",
"O"
],
"chemical_system": "B-Mo-O-Pr",
"density": 4.980268670072951,
"density_atomic": 0.07727420308232098,
"volume": 362.3460208340333,
"volume_molar": 7.793209790315862,
"formula_full": "Pr4 B4 Mo2 O18",
"formula_reduced": "Pr2B2MoO9",
"formula_anonymous": "AB2C2D9",
"energy_above_hull": 3.321103733333333,
"spacegroup": 2
},
{
"id": "jvasp-112091",
"created_at": "2022-09-04T14:38:44.595195Z",
"updated_at": "2022-09-04T14:38:44.595223Z",
"structure_string": "H16 C22 S2 O2\n1.0\n4.131912 -0.111345 -0.538587\n-2.685980 8.366285 -1.823679\n-0.005328 -0.314108 11.808749\nH C S O\n16 22 2 2\ndirect\n0.818043 0.889858 0.007918 H\n0.436688 0.657987 0.396482 H\n0.936946 0.658061 0.896510 H\n0.922252 0.732541 0.324525 H\n0.530955 0.491761 0.710532 H\n0.030716 0.491691 0.210509 H\n0.461098 0.080852 0.708450 H\n-0.039076 0.080825 0.208425 H\n0.422528 0.732626 0.824542 H\n-0.001890 0.469896 0.798907 H\n0.624383 0.216154 0.199832 H\n0.124646 0.216234 0.699845 H\n0.016989 0.960764 0.669999 H\n0.516851 0.960694 0.170022 H\n0.317821 0.889797 0.507884 H\n0.497852 0.469822 0.298886 H\n0.487830 0.579440 0.665214 C\n0.856703 0.827459 0.174518 C\n0.356724 0.827471 0.674509 C\n0.991924 0.552540 0.043657 C\n0.933199 0.670218 0.989836 C\n0.866286 0.802735 0.053279 C\n0.366166 0.802703 0.553257 C\n0.433064 0.670181 0.489818 C\n0.987697 0.579400 0.165206 C\n0.491912 0.552538 0.543657 C\n0.423076 0.715595 0.730273 C\n0.050445 0.413762 0.968150 C\n0.268865 0.976388 0.722720 C\n0.768770 0.976358 0.222723 C\n0.672834 0.160784 0.371235 C\n0.172883 0.160798 0.871229 C\n0.550402 0.413747 0.468150 C\n0.547336 0.388424 0.348623 C\n0.047504 0.388477 0.848635 C\n0.616306 0.248053 0.293255 C\n0.116479 0.248105 0.793264 C\n0.922924 0.715546 0.230267 C\n0.139499 0.254025 0.014299 S\n0.639572 0.254043 0.514312 S\n0.250606 0.020626 0.847482 O\n0.750613 0.020619 0.347494 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.5558060356936843,
"density_atomic": 0.1045203292667836,
"volume": 401.8357031080224,
"volume_molar": 5.761693253595429,
"formula_full": "H16 C22 S2 O2",
"formula_reduced": "H8C11SO",
"formula_anonymous": "ABC8D11",
"energy_above_hull": 5.507300642857143,
"spacegroup": 1
},
{
"id": "jvasp-112993",
"created_at": "2022-09-04T14:38:45.721010Z",
"updated_at": "2022-09-04T14:38:45.721041Z",
"structure_string": "Zr3 Tl2 Cu2 Se8\n1.0\n6.924392 -0.028976 2.990662\n5.870316 3.672523 2.990662\n-0.151325 -0.043093 14.447705\nZr Tl Cu Se\n3 2 2 8\ndirect\n0.000000 0.000000 0.000000 Zr\n0.843146 0.843143 0.380182 Zr\n0.156856 0.156855 0.619817 Zr\n0.834305 0.834302 0.799844 Tl\n0.165697 0.165697 0.200155 Tl\n0.457177 0.457175 0.197613 Cu\n0.542825 0.542823 0.802386 Cu\n0.853070 0.853067 0.189526 Se\n0.146932 0.146932 0.810473 Se\n0.801261 0.801259 0.580787 Se\n0.198741 0.198740 0.419213 Se\n0.482091 0.482089 0.355064 Se\n0.517911 0.517910 0.644935 Se\n0.609941 0.609939 0.042507 Se\n0.390061 0.390060 0.957492 Se\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Zr",
"Tl",
"Cu",
"Se"
],
"chemical_system": "Cu-Se-Tl-Zr",
"density": 6.438948262536339,
"density_atomic": 0.04035800124917709,
"volume": 371.67351047410585,
"volume_molar": 14.921801312256,
"formula_full": "Zr3 Tl2 Cu2 Se8",
"formula_reduced": "Zr3Tl2(CuSe4)2",
"formula_anonymous": "A2B2C3D8",
"energy_above_hull": 1.7484864355555556,
"spacegroup": 12
},
{
"id": "jvasp-21379",
"created_at": "2022-09-04T14:38:31.698058Z",
"updated_at": "2022-09-04T14:38:31.698087Z",
"structure_string": "Na1 Lu1 Pd6 O8\n1.0\n5.776502 -0.000000 0.000000\n0.000000 5.776502 -0.000000\n0.000000 -0.000000 5.776502\nNa Lu Pd O\n1 1 6 8\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Lu\n0.750333 0.500000 0.000000 Pd\n0.500000 0.000000 0.750333 Pd\n0.000000 0.750333 0.500000 Pd\n0.500000 0.000000 0.249666 Pd\n0.000000 0.249666 0.500000 Pd\n0.249666 0.500000 0.000000 Pd\n0.236855 0.763144 0.236855 O\n0.763144 0.236855 0.236855 O\n0.236855 0.236855 0.763144 O\n0.763144 0.763144 0.763144 O\n0.763144 0.236855 0.763144 O\n0.236855 0.763144 0.763144 O\n0.763144 0.763144 0.236855 O\n0.236855 0.236855 0.236855 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Na",
"Lu",
"Pd",
"O"
],
"chemical_system": "Lu-Na-O-Pd",
"density": 8.3089074869299,
"density_atomic": 0.08300900315890883,
"volume": 192.7501763799078,
"volume_molar": 7.254804335466451,
"formula_full": "Na1 Lu1 Pd6 O8",
"formula_reduced": "NaLu(Pd3O4)2",
"formula_anonymous": "ABC6D8",
"energy_above_hull": 2.251813559375,
"spacegroup": 200
},
{
"id": "jvasp-116797",
"created_at": "2022-09-04T14:38:45.701427Z",
"updated_at": "2022-09-04T14:38:45.701456Z",
"structure_string": "K4 V4 Pb4 O16\n1.0\n5.788195 -0.000000 0.000000\n0.000000 7.690878 0.000000\n-0.000000 -0.000000 10.102398\nK V Pb O\n4 4 4 16\ndirect\n0.250000 0.177323 0.906782 K\n0.749999 0.822677 0.093218 K\n0.250000 0.677324 0.593218 K\n0.749999 0.322677 0.406782 K\n0.749999 0.252864 0.077840 V\n0.250000 0.747137 0.922160 V\n0.749999 0.752864 0.422160 V\n0.250000 0.247137 0.577840 V\n0.250000 0.005467 0.289101 Pb\n0.749999 0.994533 0.710899 Pb\n0.250000 0.505467 0.210899 Pb\n0.749999 0.494533 0.789101 Pb\n0.505036 0.159750 0.146101 O\n0.005036 0.840250 0.853899 O\n0.005036 0.340250 0.646101 O\n0.505036 0.659750 0.353899 O\n0.494963 0.840250 0.853899 O\n0.994963 0.159750 0.146101 O\n0.250000 0.284638 0.405938 O\n0.749999 0.471715 0.105572 O\n0.250000 0.784638 0.094062 O\n0.749999 0.215362 0.905938 O\n0.749999 0.971715 0.394428 O\n0.250000 0.028285 0.605572 O\n0.494963 0.340250 0.646101 O\n0.250000 0.528285 0.894428 O\n0.749999 0.715362 0.594062 O\n0.994963 0.659750 0.353899 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"K",
"V",
"Pb",
"O"
],
"chemical_system": "K-O-Pb-V",
"density": 5.335292651997351,
"density_atomic": 0.062260769095496764,
"volume": 449.72139610182234,
"volume_molar": 9.672448393246032,
"formula_full": "K4 V4 Pb4 O16",
"formula_reduced": "KVPbO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.85275386,
"spacegroup": 62
},
{
"id": "jvasp-112129",
"created_at": "2022-09-04T14:38:45.159924Z",
"updated_at": "2022-09-04T14:38:45.159942Z",
"structure_string": "Zn1 H14 C9 O4\n1.0\n4.602189 0.115475 -0.437349\n-1.973714 4.343801 -0.351658\n-0.374472 -0.049715 11.741427\nZn H C O\n1 14 9 4\ndirect\n0.476182 0.267920 0.829069 Zn\n0.573153 0.694569 0.452172 H\n0.589462 0.438110 0.114674 H\n0.289033 0.454943 0.190996 H\n0.103275 0.929328 0.382993 H\n0.010403 0.585921 0.294008 H\n0.496121 0.351241 0.365411 H\n0.011864 0.345313 0.476286 H\n0.559742 0.844691 0.002447 H\n0.273834 0.896448 0.080368 H\n0.917918 -0.006827 0.188751 H\n0.630093 -0.008671 0.274484 H\n0.237219 0.912860 0.560974 H\n0.937519 0.825182 0.645199 H\n0.699726 0.284681 0.556587 H\n0.100010 0.494036 0.960689 C\n0.362001 0.728242 0.048441 C\n0.486679 0.592440 0.148752 C\n0.738556 0.845993 0.236269 C\n0.868242 0.455429 0.512749 C\n0.688579 0.554302 0.414973 C\n0.080547 0.725476 0.602222 C\n0.291324 0.657690 0.695940 C\n0.904149 0.732135 0.332845 C\n0.128918 0.259986 0.914227 O\n0.439483 0.852351 0.784813 O\n0.318299 0.401738 0.684693 O\n0.845225 0.540622 0.937165 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 1.7660676591263857,
"density_atomic": 0.1183535709734621,
"volume": 236.57925797843748,
"volume_molar": 5.088262830151798,
"formula_full": "Zn1 H14 C9 O4",
"formula_reduced": "ZnH14C9O4",
"formula_anonymous": "AB4C9D14",
"energy_above_hull": 4.493523728571429,
"spacegroup": 1
},
{
"id": "jvasp-19164",
"created_at": "2022-09-04T14:38:35.736143Z",
"updated_at": "2022-09-04T14:38:35.736157Z",
"structure_string": "Ta4 Zn4 Sn2 O16\n1.0\n5.433725 0.001451 -0.040195\n-0.002083 5.938185 -0.001524\n-0.344574 -2.967852 10.450940\nTa Zn Sn O\n4 4 2 16\ndirect\n0.711971 0.283627 0.250764 Ta\n0.785683 0.032992 0.749213 Ta\n0.285689 0.716754 0.749228 Ta\n0.211975 0.967380 0.250771 Ta\n0.778517 0.431089 0.561044 Zn\n0.719113 0.869962 0.438938 Zn\n0.219152 0.569310 0.438948 Zn\n0.278542 0.130432 0.561048 Zn\n0.248817 0.311184 0.000143 Sn\n0.748833 0.689165 -0.000149 Sn\n0.850143 0.547640 0.397887 O\n0.647528 0.149804 0.602095 O\n0.147519 0.452752 0.602095 O\n0.350130 0.850600 0.397897 O\n0.085418 0.931243 0.637942 O\n0.412275 0.293197 0.362084 O\n0.112611 0.682899 0.139163 O\n0.981813 0.833838 0.839261 O\n0.885051 0.317457 0.860835 O\n0.612526 0.456383 0.139146 O\n0.515755 0.994492 0.160701 O\n0.912240 0.069156 0.362047 O\n0.481908 0.005874 0.839291 O\n0.015835 0.166506 0.160713 O\n0.385144 0.543977 0.860835 O\n0.585374 0.707197 0.637891 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Ta",
"Zn",
"Sn",
"O"
],
"chemical_system": "O-Sn-Ta-Zn",
"density": 7.2845179324729346,
"density_atomic": 0.07712665372447713,
"volume": 337.10784462244294,
"volume_molar": 7.808118813909848,
"formula_full": "Ta4 Zn4 Sn2 O16",
"formula_reduced": "Ta2Zn2SnO8",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 2.654589146153846,
"spacegroup": 15
},
{
"id": "jvasp-112157",
"created_at": "2022-09-04T14:38:45.684318Z",
"updated_at": "2022-09-04T14:38:45.684348Z",
"structure_string": "Hf1 H8 C6 O4\n1.0\n3.812525 0.090167 0.184696\n1.301535 4.393978 0.893684\n0.196458 -0.008641 9.443689\nHf H C O\n1 8 6 4\ndirect\n0.036060 0.832713 0.307175 Hf\n0.787448 0.207182 0.914603 H\n0.314438 0.327721 0.880226 H\n0.806263 0.743917 0.851551 H\n0.323053 0.885594 0.854309 H\n0.063233 0.335271 0.670621 H\n0.676050 0.225416 0.645094 H\n0.257880 0.727237 0.633830 H\n0.602791 0.902834 0.601133 H\n0.534678 0.397478 0.920147 C\n0.554939 0.697984 0.825276 C\n0.541063 0.699608 0.663016 C\n0.888371 0.446836 0.452700 C\n0.798010 0.413334 0.614008 C\n0.442307 0.405054 0.077750 C\n0.208202 0.646286 0.111662 O\n0.979980 0.161024 0.412989 O\n0.588181 0.661333 0.360939 O\n0.579613 0.162434 0.169749 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Hf",
"H",
"C",
"O"
],
"chemical_system": "C-H-Hf-O",
"density": 3.4126866566755716,
"density_atomic": 0.12103638136098122,
"volume": 156.97759455757387,
"volume_molar": 4.97547984522063,
"formula_full": "Hf1 H8 C6 O4",
"formula_reduced": "HfH8(C3O2)2",
"formula_anonymous": "AB4C6D8",
"energy_above_hull": 4.733636157894738,
"spacegroup": 1
},
{
"id": "jvasp-119214",
"created_at": "2022-09-04T14:38:44.585538Z",
"updated_at": "2022-09-04T14:38:44.585572Z",
"structure_string": "Ba2 Y1 Cu3 O6\n1.0\n3.795606 -0.000000 0.000000\n0.000000 3.795606 0.000000\n-0.000000 -0.000000 13.354258\nBa Y Cu O\n2 1 3 6\ndirect\n0.000000 0.000000 0.653890 Ba\n0.000000 0.000000 0.346110 Ba\n0.000000 0.000000 0.000000 Y\n0.500001 0.500001 0.847248 Cu\n0.500001 0.500001 0.152752 Cu\n0.500001 0.500001 0.500000 Cu\n0.500001 0.500001 0.709880 O\n0.500001 0.500001 0.290121 O\n-0.000000 0.500001 0.500464 O\n0.500001 0.000000 0.499536 O\n-0.000000 0.500001 0.920067 O\n0.500001 0.000000 0.079934 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Cu",
"O"
],
"chemical_system": "Ba-Cu-O-Y",
"density": 5.611903708079818,
"density_atomic": 0.06237337363097567,
"volume": 192.3897859204556,
"volume_molar": 9.65498642999375,
"formula_full": "Ba2 Y1 Cu3 O6",
"formula_reduced": "Ba2Y(CuO2)3",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 1.4294941449999998,
"spacegroup": 115
},
{
"id": "jvasp-112908",
"created_at": "2022-09-04T14:38:45.474383Z",
"updated_at": "2022-09-04T14:38:45.474419Z",
"structure_string": "Li5 Mn1 Co2 O8\n1.0\n4.875449 0.021432 0.928994\n4.046718 2.719290 0.928994\n-0.161598 -0.049640 9.873243\nLi Mn Co O\n5 1 2 8\ndirect\n0.762397 0.762395 0.859642 Li\n0.246525 0.246525 0.630730 Li\n0.749135 0.749134 0.379805 Li\n0.249567 0.249567 0.129134 Li\n0.497041 0.497040 0.742213 Li\n0.004581 0.004581 0.988276 Mn\n-0.002288 -0.002288 0.506005 Co\n0.499065 0.499063 0.252057 Co\n0.120772 0.120772 0.830395 O\n0.611017 0.611016 0.554170 O\n0.107708 0.107708 0.315413 O\n0.606389 0.606387 0.068753 O\n0.385494 0.385493 0.949161 O\n0.879316 0.879314 0.673955 O\n0.391292 0.391291 0.433938 O\n0.891997 0.891995 0.186343 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.269630729398897,
"density_atomic": 0.12262038528104273,
"volume": 130.4840134316037,
"volume_molar": 4.9112068488428005,
"formula_full": "Li5 Mn1 Co2 O8",
"formula_reduced": "Li5Mn(CoO4)2",
"formula_anonymous": "AB2C5D8",
"energy_above_hull": 2.502780440086207,
"spacegroup": 8
},
{
"id": "jvasp-111234",
"created_at": "2022-09-04T14:38:46.093671Z",
"updated_at": "2022-09-04T14:38:46.093712Z",
"structure_string": "Rb2 Tl1 As1 Br6\n1.0\n6.986085 -0.000000 4.033418\n2.328695 6.586545 4.033418\n-0.000000 -0.000000 8.066837\nRb Tl As Br\n2 1 1 6\ndirect\n0.750001 0.749999 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 As\n0.766642 0.233358 0.233359 Br\n0.233359 0.233358 0.766642 Br\n0.233360 0.766641 0.766642 Br\n0.233360 0.766641 0.233359 Br\n0.766642 0.233358 0.766642 Br\n0.766643 0.766641 0.233359 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Tl",
"As",
"Br"
],
"chemical_system": "As-Br-Rb-Tl",
"density": 4.158919694153481,
"density_atomic": 0.026940471338190972,
"volume": 371.1887544381579,
"volume_molar": 22.35350927755662,
"formula_full": "Rb2 Tl1 As1 Br6",
"formula_reduced": "Rb2TlAsBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}