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=123",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=121",
"results": [
{
"id": "jvasp-98311",
"created_at": "2022-09-04T14:36:20.875758Z",
"updated_at": "2022-09-04T14:36:20.875775Z",
"structure_string": "Fe8 Te4 O20\n1.0\n4.859618 0.000000 0.000000\n0.000000 7.634933 -1.621115\n0.000000 0.128571 10.649135\nFe Te O\n8 4 20\ndirect\n0.052488 0.811917 0.909558 Fe\n0.947513 0.188082 0.090442 Fe\n0.552488 0.188082 0.590441 Fe\n0.432322 0.981887 0.131304 Fe\n0.567678 0.018113 0.868695 Fe\n0.067678 0.981887 0.631304 Fe\n0.447513 0.811917 0.409558 Fe\n0.932322 0.018113 0.368696 Fe\n0.428356 0.361282 0.335453 Te\n0.571645 0.638717 0.664547 Te\n0.071644 0.361282 0.835453 Te\n0.928356 0.638717 0.164547 Te\n0.263406 0.062660 0.987081 O\n0.763406 0.937340 0.512919 O\n0.293990 0.739538 0.564819 O\n0.378313 0.082411 0.731331 O\n0.624858 0.578124 0.341120 O\n0.101154 0.758812 0.317832 O\n0.898847 0.241187 0.682168 O\n0.793990 0.260461 0.935181 O\n0.601154 0.241187 0.182169 O\n0.206010 0.739538 0.064819 O\n0.124857 0.421876 0.158881 O\n0.736595 0.937340 0.012919 O\n0.375143 0.421876 0.658880 O\n0.875143 0.578124 0.841119 O\n0.398846 0.758812 0.817831 O\n0.236595 0.062660 0.487081 O\n0.706010 0.260462 0.435181 O\n0.878314 0.917589 0.768668 O\n0.121687 0.082411 0.231331 O\n0.621687 0.917589 0.268669 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Fe",
"Te",
"O"
],
"chemical_system": "Fe-O-Te",
"density": 5.353733274662609,
"density_atomic": 0.0807823315892116,
"volume": 396.1262242680003,
"volume_molar": 7.454774628966331,
"formula_full": "Fe8 Te4 O20",
"formula_reduced": "Fe2TeO5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.733298283333333,
"spacegroup": 14
},
{
"id": "jvasp-95381",
"created_at": "2022-09-04T14:36:20.573799Z",
"updated_at": "2022-09-04T14:36:20.573820Z",
"structure_string": "Lu2 Cl6 O24\n1.0\n7.259265 0.011940 5.713906\n2.780918 6.705489 5.713906\n0.017846 0.011940 9.238254\nLu Cl O\n2 6 24\ndirect\n0.558582 0.558581 0.558581 Lu\n0.058581 0.058581 0.058581 Lu\n0.344209 0.967729 0.688478 Cl\n0.688480 0.344208 0.967729 Cl\n0.967730 0.688479 0.344208 Cl\n0.467730 0.844208 0.188479 Cl\n0.188479 0.467729 0.844207 Cl\n0.844209 0.188479 0.467729 Cl\n0.582761 0.626236 0.252238 O\n0.082761 0.752238 0.126236 O\n0.752239 0.126236 0.082760 O\n0.126236 0.082760 0.752238 O\n0.891831 0.343313 0.418771 O\n0.343314 0.418771 0.891829 O\n0.418771 0.891830 0.343313 O\n0.918772 0.843313 0.391830 O\n0.882758 0.204558 0.279363 O\n0.951767 -0.005367 0.575278 O\n-0.005366 0.575278 0.951765 O\n0.575278 0.951766 -0.005367 O\n0.075278 0.494633 0.451766 O\n0.494634 0.451766 0.075278 O\n0.451767 0.075278 0.494633 O\n0.252239 0.582760 0.626235 O\n0.626237 0.252238 0.582760 O\n0.382758 0.779363 0.704557 O\n0.704559 0.382758 0.779362 O\n0.779364 0.704558 0.382757 O\n0.279363 0.882758 0.204558 O\n0.204558 0.279363 0.882757 O\n0.391831 0.918771 0.843313 O\n0.843314 0.391830 0.918770 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Lu",
"Cl",
"O"
],
"chemical_system": "Cl-Lu-O",
"density": 3.5056789607169554,
"density_atomic": 0.07136565771096781,
"volume": 448.39494269919817,
"volume_molar": 8.438429565645956,
"formula_full": "Lu2 Cl6 O24",
"formula_reduced": "Lu(ClO4)3",
"formula_anonymous": "AB3C12",
"energy_above_hull": 2.35544874703125,
"spacegroup": 161
},
{
"id": "jvasp-91450",
"created_at": "2022-09-04T14:36:12.370662Z",
"updated_at": "2022-09-04T14:36:12.370681Z",
"structure_string": "Li4 H12 C4 O12\n1.0\n4.799316 0.000000 0.000000\n0.000000 6.281612 0.000000\n0.000000 0.000000 9.939717\nLi H C O\n4 12 4 12\ndirect\n0.727067 0.384447 0.550898 Li\n0.227066 0.884447 0.949103 Li\n0.227066 0.615553 0.449103 Li\n0.727067 0.115553 0.050898 Li\n0.626003 0.395822 0.870815 H\n0.621612 0.658024 0.208916 H\n0.850983 0.479862 0.980571 H\n0.126003 0.604178 0.129186 H\n0.621612 0.841976 0.708917 H\n0.121612 0.158024 0.291084 H\n0.121612 0.341976 0.791084 H\n0.350982 0.979862 0.519429 H\n0.126003 0.895822 0.629186 H\n0.850983 0.020138 0.480571 H\n0.350982 0.520137 0.019429 H\n0.626003 0.104178 0.370815 H\n0.743958 0.611383 0.299089 C\n0.243957 0.388617 0.700911 C\n0.743958 0.888617 0.799089 C\n0.243957 0.111383 0.200911 C\n0.006404 0.903332 0.786207 O\n0.506404 0.096667 0.213794 O\n0.176178 0.896112 0.530675 O\n0.676179 0.396113 0.969325 O\n0.112999 0.421626 0.592428 O\n0.612999 0.578373 0.407572 O\n0.176178 0.603887 0.030675 O\n0.006404 0.596667 0.286206 O\n0.612999 0.921626 0.907572 O\n0.506404 0.403332 0.713794 O\n0.676179 0.103887 0.469325 O\n0.112999 0.078374 0.092428 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"H",
"C",
"O"
],
"chemical_system": "C-H-Li-O",
"density": 1.5510277877211538,
"density_atomic": 0.10678875056013679,
"volume": 299.6570315894799,
"volume_molar": 5.639302574861295,
"formula_full": "Li4 H12 C4 O12",
"formula_reduced": "LiH3CO3",
"formula_anonymous": "ABC3D3",
"energy_above_hull": 2.9971825625,
"spacegroup": 33
},
{
"id": "jvasp-103851",
"created_at": "2022-09-04T14:36:39.443471Z",
"updated_at": "2022-09-04T14:36:39.443496Z",
"structure_string": "H12 C14 N4 O2\n1.0\n4.689766 0.000247 0.000267\n-2.345739 6.750256 -0.585042\n-0.000294 -0.245287 8.801878\nH C N O\n12 14 4 2\ndirect\n0.411078 0.993222 0.675757 H\n0.379656 0.320046 0.312823 H\n0.818122 0.045144 0.863478 H\n0.024273 0.785279 0.935014 H\n0.921605 0.579892 0.741253 H\n0.097282 0.993194 0.175736 H\n0.100492 0.371995 0.000563 H\n0.742257 0.045130 0.363458 H\n0.786738 0.371972 0.500538 H\n0.276204 0.785301 0.435028 H\n0.173505 0.579913 0.241267 H\n0.455561 0.320063 0.812838 H\n0.878409 0.289317 0.038014 C\n0.476747 0.261790 0.214250 C\n0.319366 0.075871 0.138284 C\n0.349608 0.682594 0.838151 C\n0.760510 0.370587 0.164723 C\n0.437262 0.994602 0.011572 C\n0.721027 0.103399 0.962048 C\n0.125278 0.370584 0.664720 C\n0.271685 0.075886 0.638294 C\n0.848183 0.682590 0.338151 C\n0.072536 0.994606 0.511574 C\n0.926126 0.289303 0.538002 C\n0.897590 0.103390 0.462038 C\n0.300225 0.261801 0.714257 C\n0.944608 0.552276 0.243034 N\n0.074940 0.812924 0.433263 N\n0.122865 0.552265 0.743027 N\n0.253169 0.812913 0.933257 N\n0.580790 0.682569 0.338159 O\n0.616993 0.682604 0.838164 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O",
"density": 1.6025719792510875,
"density_atomic": 0.11511852480239135,
"volume": 277.97437514883154,
"volume_molar": 5.231252546310343,
"formula_full": "H12 C14 N4 O2",
"formula_reduced": "H6C7N2O",
"formula_anonymous": "AB2C6D7",
"energy_above_hull": 5.479199374999999,
"spacegroup": 15
},
{
"id": "jvasp-95821",
"created_at": "2022-09-04T14:36:15.586072Z",
"updated_at": "2022-09-04T14:36:15.586092Z",
"structure_string": "K4 Sb4 F24\n1.0\n8.291301 0.000000 -2.931418\n-4.145651 7.180478 -2.931418\n-0.000000 -0.000000 8.794254\nK Sb F\n4 4 24\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.500000 K\n0.500000 -0.000000 -0.000000 K\n0.000000 0.500000 -0.000000 K\n0.000000 0.000000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.500000 -0.000000 0.500000 Sb\n0.500000 0.500000 -0.000000 Sb\n0.166645 0.751816 0.702291 F\n0.464354 0.797709 0.549524 F\n0.333355 0.035647 0.585171 F\n0.751816 0.702291 0.166644 F\n0.950475 0.748184 0.914828 F\n0.035647 0.585172 0.333355 F\n0.748184 0.914829 0.950474 F\n0.914829 0.950475 0.748183 F\n0.702291 0.166645 0.751816 F\n0.549525 0.464354 0.797708 F\n0.414829 0.666645 0.964353 F\n0.251816 0.085171 0.049525 F\n0.297709 0.833356 0.248184 F\n0.049525 0.251816 0.085171 F\n0.797709 0.549525 0.464353 F\n0.964353 0.414829 0.666644 F\n0.450475 0.535647 0.202291 F\n0.248184 0.297709 0.833355 F\n0.666645 0.964354 0.414828 F\n0.535647 0.202291 0.450475 F\n0.833355 0.248184 0.297708 F\n0.085171 0.049525 0.251816 F\n0.202291 0.450475 0.535646 F\n0.585171 0.333355 0.035646 F\n",
"nsites": 32,
"nelements": 3,
"elements": [
"K",
"Sb",
"F"
],
"chemical_system": "F-K-Sb",
"density": 3.4868058320228146,
"density_atomic": 0.061118816464870114,
"volume": 523.5703479041183,
"volume_molar": 9.853169790127412,
"formula_full": "K4 Sb4 F24",
"formula_reduced": "KSbF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 206
},
{
"id": "jvasp-97597",
"created_at": "2022-09-04T14:36:15.637143Z",
"updated_at": "2022-09-04T14:36:15.637163Z",
"structure_string": "Li4 V8 O20\n1.0\n3.603275 -0.000000 0.000000\n0.000000 9.775128 0.000000\n0.000000 0.000000 10.601401\nLi V O\n4 8 20\ndirect\n0.749999 0.844812 0.773863 Li\n0.250001 0.155187 0.226138 Li\n0.749999 0.344812 0.726138 Li\n0.250001 0.655187 0.273862 Li\n0.250001 0.872657 -0.000372 V\n0.749999 0.935689 0.399462 V\n0.250001 0.064311 0.600538 V\n0.749999 0.435689 0.100538 V\n0.250001 0.564311 0.899462 V\n0.749999 0.627342 0.499628 V\n0.749999 0.127343 0.000371 V\n0.250001 0.372657 0.500371 V\n0.749999 0.753882 0.369818 O\n0.749999 0.521766 0.234220 O\n0.250001 0.935919 0.457386 O\n0.749999 0.064082 0.542614 O\n0.250001 0.435919 0.042614 O\n0.749999 0.564082 0.957386 O\n0.250001 0.071590 0.042118 O\n0.749999 0.021766 0.265780 O\n0.749999 0.220137 0.872268 O\n0.250001 0.279863 0.372269 O\n0.749999 0.720138 0.627731 O\n0.250001 0.978234 0.734220 O\n0.250001 0.779862 0.127731 O\n0.250001 0.478234 0.765780 O\n0.749999 0.428410 0.542118 O\n0.749999 0.928410 0.957883 O\n0.749999 0.253881 0.130182 O\n0.250001 0.246118 0.630182 O\n0.250001 0.571591 0.457882 O\n0.250001 0.746118 0.869818 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Li",
"V",
"O"
],
"chemical_system": "Li-O-V",
"density": 3.3587390113007864,
"density_atomic": 0.08569724388345158,
"volume": 373.4075747350762,
"volume_molar": 7.027228049702652,
"formula_full": "Li4 V8 O20",
"formula_reduced": "LiV2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.8075969875,
"spacegroup": 62
},
{
"id": "jvasp-98119",
"created_at": "2022-09-04T14:36:21.033199Z",
"updated_at": "2022-09-04T14:36:21.033224Z",
"structure_string": "Mn4 Fe4 Bi4 O20\n1.0\n5.705788 0.000000 0.000000\n0.000000 7.490059 -0.000000\n0.000000 -0.000000 8.593952\nMn Fe Bi O\n4 4 4 20\ndirect\n0.500000 0.902478 0.148289 Mn\n0.500000 0.597523 0.648289 Mn\n0.500000 0.402478 0.351711 Mn\n0.500000 0.097523 0.851711 Mn\n0.735426 0.500000 0.000000 Fe\n0.264574 0.500000 0.000000 Fe\n0.735426 0.000000 0.500000 Fe\n0.264574 0.000000 0.500000 Fe\n0.000000 0.652294 0.330419 Bi\n0.000000 0.152294 0.169581 Bi\n0.000000 0.847706 0.830419 Bi\n0.000000 0.347706 0.669581 Bi\n0.000000 0.653362 0.052533 O\n0.718709 0.500000 0.500000 O\n0.500000 0.155779 0.431271 O\n0.500000 0.844221 0.568729 O\n0.281291 0.000000 0.000000 O\n0.256218 0.605559 0.796174 O\n0.743783 0.894441 0.296174 O\n0.743783 0.394441 0.203826 O\n0.256218 0.105559 0.703825 O\n0.718709 0.000000 0.000000 O\n0.281291 0.500000 0.500000 O\n0.500000 0.344221 0.931271 O\n0.743783 0.105559 0.703825 O\n0.743783 0.605559 0.796174 O\n0.256218 0.394441 0.203826 O\n0.256218 0.894441 0.296174 O\n0.000000 0.153362 0.447467 O\n0.500000 0.655779 0.068729 O\n0.000000 0.846638 0.552533 O\n0.000000 0.346638 0.947467 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Mn",
"Fe",
"Bi",
"O"
],
"chemical_system": "Bi-Fe-Mn-O",
"density": 7.229614078536108,
"density_atomic": 0.08712768695555731,
"volume": 367.27705185520165,
"volume_molar": 6.91185657559326,
"formula_full": "Mn4 Fe4 Bi4 O20",
"formula_reduced": "MnFeBiO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.8050118176724137,
"spacegroup": 55
},
{
"id": "jvasp-96823",
"created_at": "2022-09-04T14:36:20.428306Z",
"updated_at": "2022-09-04T14:36:20.428328Z",
"structure_string": "U4 Se4 O24\n1.0\n5.422826 0.000000 0.000000\n0.000000 6.664135 -1.686819\n0.000000 -0.064058 13.377517\nU Se O\n4 4 24\ndirect\n0.191712 0.663218 0.854144 U\n0.691712 0.336782 0.645857 U\n0.808289 0.336782 0.145856 U\n0.308288 0.663218 0.354144 U\n0.051164 0.198204 0.386109 Se\n0.448837 0.198204 0.886109 Se\n0.948837 0.801797 0.613891 Se\n0.551164 0.801797 0.113891 Se\n0.638420 0.022458 0.096666 O\n0.401966 0.839412 0.226215 O\n0.857947 0.307308 0.479830 O\n0.138419 0.977542 0.403334 O\n0.901967 0.160589 0.273785 O\n0.197133 0.339664 0.886125 O\n0.642054 0.307308 0.979830 O\n0.980035 0.435611 0.717967 O\n0.357947 0.692692 0.020170 O\n0.142053 0.692692 0.520170 O\n0.861581 0.022458 0.596666 O\n0.361581 0.977542 0.903334 O\n0.802868 0.660337 0.113876 O\n0.098034 0.839412 0.726215 O\n0.019966 0.564389 0.282033 O\n0.519966 0.435611 0.217967 O\n0.598035 0.160589 0.773786 O\n0.603073 0.739274 0.413142 O\n0.396928 0.260727 0.586859 O\n0.103072 0.260727 0.086858 O\n0.302867 0.339664 0.386124 O\n0.480035 0.564389 0.782033 O\n0.896928 0.739274 0.913142 O\n0.697133 0.660337 0.613876 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"U",
"Se",
"O"
],
"chemical_system": "O-Se-U",
"density": 5.681008428805022,
"density_atomic": 0.06627225056277795,
"volume": 482.85669685666164,
"volume_molar": 9.086971860560832,
"formula_full": "U4 Se4 O24",
"formula_reduced": "USeO6",
"formula_anonymous": "ABC6",
"energy_above_hull": 2.943120045833333,
"spacegroup": 14
},
{
"id": "jvasp-22931",
"created_at": "2022-09-04T14:37:32.670447Z",
"updated_at": "2022-09-04T14:37:32.670467Z",
"structure_string": "Ca20 Sb12\n1.0\n8.234640 0.000000 0.000000\n0.000000 9.540718 0.000000\n0.000000 0.000000 12.558001\nCa Sb\n20 12\ndirect\n0.307938 0.959673 0.077963 Ca\n0.964255 0.750000 0.003979 Ca\n0.464255 0.250000 0.496021 Ca\n0.035745 0.250000 0.996021 Ca\n0.535745 0.750000 0.503979 Ca\n0.845138 0.250000 0.706978 Ca\n0.654862 0.250000 0.206978 Ca\n0.154862 0.750000 0.293022 Ca\n0.819471 0.750000 0.727375 Ca\n0.319471 0.250000 0.772625 Ca\n0.345138 0.750000 0.793022 Ca\n0.680529 0.750000 0.227375 Ca\n0.807938 0.459673 0.422037 Ca\n0.307938 0.540327 0.077963 Ca\n0.192062 0.959673 0.577963 Ca\n0.692062 0.040327 0.922037 Ca\n0.192062 0.540327 0.577963 Ca\n0.692062 0.459673 0.922037 Ca\n0.807938 0.040327 0.422037 Ca\n0.180529 0.250000 0.272625 Ca\n0.074326 0.250000 0.514661 Sb\n0.574326 0.750000 0.985339 Sb\n0.439683 0.510728 0.328599 Sb\n0.939683 0.489272 0.171401 Sb\n0.560317 0.010728 0.671401 Sb\n0.439683 0.989272 0.328599 Sb\n0.560317 0.489272 0.671401 Sb\n0.060317 0.510728 0.828599 Sb\n0.939683 0.010728 0.171401 Sb\n0.425674 0.250000 0.014661 Sb\n0.060317 0.989272 0.828599 Sb\n0.925674 0.750000 0.485339 Sb\n",
"nsites": 32,
"nelements": 2,
"elements": [
"Ca",
"Sb"
],
"chemical_system": "Ca-Sb",
"density": 3.8082552139609143,
"density_atomic": 0.03243424463931548,
"volume": 986.6115383865265,
"volume_molar": 18.567229873761892,
"formula_full": "Ca20 Sb12",
"formula_reduced": "Ca5Sb3",
"formula_anonymous": "A3B5",
"energy_above_hull": 0.35368725625,
"spacegroup": 62
},
{
"id": "jvasp-22866",
"created_at": "2022-09-04T14:37:32.393382Z",
"updated_at": "2022-09-04T14:37:32.393401Z",
"structure_string": "Rb12 Ta4 S16\n1.0\n9.595489 0.000000 0.000000\n-0.000000 9.649068 0.000000\n0.000000 0.000000 10.994440\nRb Ta S\n12 4 16\ndirect\n0.051209 0.290181 0.542266 Rb\n0.857747 0.916068 0.750000 Rb\n0.142253 0.083932 0.250000 Rb\n0.642253 0.416068 0.250000 Rb\n0.948791 0.709819 0.457734 Rb\n0.448791 0.790181 0.042266 Rb\n0.551210 0.209819 0.542266 Rb\n0.051209 0.290181 0.957734 Rb\n0.948791 0.709819 0.042266 Rb\n0.551210 0.209819 0.957734 Rb\n0.448791 0.790181 0.457734 Rb\n0.357747 0.583932 0.750000 Rb\n0.217690 0.515179 0.250000 Ta\n0.717690 0.984821 0.250000 Ta\n0.282310 0.015179 0.750000 Ta\n0.782310 0.484821 0.750000 Ta\n0.833010 0.050583 0.422226 S\n0.166990 0.949417 0.922226 S\n0.166990 0.949417 0.577774 S\n0.666990 0.550583 0.922226 S\n0.333010 0.449417 0.422226 S\n0.833010 0.050583 0.077774 S\n-0.002078 0.421283 0.250000 S\n0.497922 0.078717 0.250000 S\n0.002078 0.578718 0.750000 S\n0.699302 0.748946 0.250000 S\n0.199302 0.751054 0.250000 S\n0.800698 0.248946 0.750000 S\n0.300698 0.251054 0.750000 S\n0.333010 0.449417 0.077774 S\n0.502078 0.921283 0.750000 S\n0.666990 0.550583 0.577774 S\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Rb",
"Ta",
"S"
],
"chemical_system": "Rb-S-Ta",
"density": 3.6906389286007806,
"density_atomic": 0.03143579050269318,
"volume": 1017.9479977530225,
"volume_molar": 19.156956652590203,
"formula_full": "Rb12 Ta4 S16",
"formula_reduced": "Rb3TaS4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.4947186499999998,
"spacegroup": 62
},
{
"id": "jvasp-23095",
"created_at": "2022-09-04T14:37:33.725948Z",
"updated_at": "2022-09-04T14:37:33.725971Z",
"structure_string": "K8 Al8 Te16\n1.0\n8.330300 0.001469 -1.062327\n-0.137205 8.329170 -1.062327\n-0.009001 -0.009152 16.467457\nK Al Te\n8 8 16\ndirect\n0.780417 0.654858 0.118380 K\n0.220243 0.847785 0.888269 K\n0.345142 0.219583 0.381619 K\n0.219583 0.345143 0.881620 K\n0.654857 0.780417 0.618380 K\n0.847785 0.220244 0.388269 K\n0.779756 0.152215 0.111730 K\n0.152215 0.779757 0.611731 K\n0.710293 0.088095 0.840951 Al\n0.289900 0.417361 0.159885 Al\n0.582639 0.710100 0.340115 Al\n0.710099 0.582640 0.840115 Al\n0.417361 0.289901 0.659885 Al\n0.088094 0.710293 0.340951 Al\n0.289707 0.911905 0.159049 Al\n0.911905 0.289707 0.659049 Al\n0.947230 0.052770 0.750000 Te\n0.052769 0.947231 0.250000 Te\n0.735862 0.859000 0.938628 Te\n0.141000 0.264138 0.561372 Te\n0.264138 0.141000 0.061372 Te\n0.858999 0.735862 0.438628 Te\n0.427460 0.052588 0.750572 Te\n0.052588 0.427460 0.250571 Te\n0.572540 0.947412 0.249428 Te\n0.638767 0.264169 0.558997 Te\n0.735831 0.361233 0.941003 Te\n0.361232 0.735831 0.441003 Te\n0.264169 0.638767 0.058997 Te\n0.572977 0.427023 0.250000 Te\n0.947412 0.572541 0.749428 Te\n0.427023 0.572977 0.750000 Te\n",
"nsites": 32,
"nelements": 3,
"elements": [
"K",
"Al",
"Te"
],
"chemical_system": "Al-K-Te",
"density": 3.735888897505702,
"density_atomic": 0.02801053301111238,
"volume": 1142.4273857018327,
"volume_molar": 21.499557889922652,
"formula_full": "K8 Al8 Te16",
"formula_reduced": "KAlTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4291515833333334,
"spacegroup": 15
},
{
"id": "jvasp-21390",
"created_at": "2022-09-04T14:37:30.880201Z",
"updated_at": "2022-09-04T14:37:30.880228Z",
"structure_string": "Mg4 Al4 P4 O20\n1.0\n0.000000 5.475246 0.002025\n10.410175 0.000000 0.000000\n0.000000 -1.061671 -7.084746\nMg Al P O\n4 4 4 20\ndirect\n0.884885 0.858221 0.984623 Mg\n0.615116 0.358221 0.015377 Mg\n0.115115 0.141779 0.015377 Mg\n0.384885 0.641779 0.984623 Mg\n0.441461 0.825668 0.639806 Al\n0.058540 0.325668 0.360194 Al\n0.558540 0.174332 0.360194 Al\n0.941461 0.674332 0.639806 Al\n0.934246 0.598544 0.218497 P\n0.565755 0.098544 0.781503 P\n0.434246 0.901455 0.218497 P\n0.065755 0.401456 0.781503 P\n0.609896 0.014393 0.285144 O\n0.118016 0.323384 0.609200 O\n0.381985 0.823384 0.390800 O\n0.245482 0.717793 0.731330 O\n0.254519 0.217793 0.268670 O\n0.754519 0.282207 0.268669 O\n0.745482 0.782207 0.731330 O\n0.890105 0.514393 0.714855 O\n0.109896 0.485606 0.285144 O\n0.810662 0.045552 0.889964 O\n0.561274 0.814971 0.085590 O\n0.938727 0.314971 0.914410 O\n0.438727 0.185029 0.914410 O\n0.061274 0.685028 0.085590 O\n0.618016 0.176616 0.609200 O\n0.689339 0.545551 0.110036 O\n0.189338 0.954448 0.110036 O\n0.310662 0.454448 0.889964 O\n0.390104 0.985606 0.714856 O\n0.881985 0.676615 0.390800 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Mg",
"Al",
"P",
"O"
],
"chemical_system": "Al-Mg-O-P",
"density": 2.669017702018968,
"density_atomic": 0.07924796105251866,
"volume": 403.7958778370737,
"volume_molar": 7.5991112957581946,
"formula_full": "Mg4 Al4 P4 O20",
"formula_reduced": "MgAlPO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 1.94739935625,
"spacegroup": 14
}
]
}