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=4632",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=4630",
"results": [
{
"id": "jvasp-97474",
"created_at": "2022-09-04T14:36:04.598959Z",
"updated_at": "2022-09-04T14:36:04.598980Z",
"structure_string": "H24 W6 C8 N2 Cl18\n1.0\n10.667366 0.000000 0.000000\n-5.333683 9.238209 -0.000000\n0.000000 -0.000000 8.416756\nH W C N Cl\n24 6 8 2 18\ndirect\n0.875120 0.353414 0.692245 H\n0.478295 0.124880 0.692245 H\n0.277348 0.554696 0.071600 H\n0.521706 0.646586 0.307755 H\n0.646586 0.124880 0.692245 H\n0.819144 0.409572 0.518120 H\n0.353414 0.478294 0.307755 H\n0.590428 0.180856 0.518120 H\n0.445305 0.722652 0.071600 H\n0.124881 0.646586 0.307755 H\n0.277348 0.722652 0.071600 H\n0.180856 0.590428 0.481880 H\n0.478295 0.353414 0.692245 H\n0.124881 0.478294 0.307755 H\n0.554696 0.277348 0.928400 H\n0.521706 0.875120 0.307755 H\n0.353414 0.875120 0.307755 H\n0.590428 0.409572 0.518120 H\n0.722653 0.445305 0.928400 H\n0.409572 0.590428 0.481880 H\n0.646586 0.521706 0.692245 H\n0.409572 0.819144 0.481880 H\n0.722653 0.277348 0.928400 H\n0.875120 0.521706 0.692245 H\n0.813917 0.906958 0.871600 W\n0.093042 0.186083 0.871600 W\n0.093042 0.906958 0.871600 W\n0.906959 0.813917 0.128400 W\n0.186083 0.093042 0.128400 W\n0.906959 0.093042 0.128400 W\n0.666667 0.333333 0.886671 C\n0.589575 0.179150 0.648008 C\n0.179150 0.589575 0.351992 C\n0.589575 0.410425 0.648008 C\n0.333333 0.666667 0.113330 C\n0.410425 0.589575 0.351992 C\n0.410425 0.820850 0.351992 C\n0.820850 0.410425 0.648008 C\n0.666667 0.333333 0.707625 N\n0.333333 0.666667 0.292376 N\n0.896787 0.793573 0.679356 Cl\n0.103214 0.206427 0.320645 Cl\n0.206427 0.103214 0.679356 Cl\n0.326366 0.000000 0.000000 Cl\n0.673634 0.673634 0.000000 Cl\n0.000000 0.326366 0.000000 Cl\n0.103214 0.896787 0.320645 Cl\n0.201055 0.798945 0.698735 Cl\n0.201055 0.402110 0.698735 Cl\n0.798945 0.201055 0.301265 Cl\n0.798946 0.597890 0.301265 Cl\n0.793574 0.896787 0.320645 Cl\n0.000000 0.673634 0.000000 Cl\n0.673634 0.000000 0.000000 Cl\n0.597891 0.798945 0.698735 Cl\n0.326366 0.326366 0.000000 Cl\n0.402110 0.201055 0.301265 Cl\n0.896787 0.103214 0.679356 Cl\n",
"nsites": 58,
"nelements": 5,
"elements": [
"H",
"W",
"C",
"N",
"Cl"
],
"chemical_system": "C-Cl-H-N-W",
"density": 3.782705217111108,
"density_atomic": 0.06992593416247032,
"volume": 829.4490548419295,
"volume_molar": 8.612170623288034,
"formula_full": "H24 W6 C8 N2 Cl18",
"formula_reduced": "H12W3C4NCl9",
"formula_anonymous": "AB3C4D9E12",
"energy_above_hull": 3.740165857155173,
"spacegroup": 164
},
{
"id": "jvasp-95248",
"created_at": "2022-09-04T14:35:58.746407Z",
"updated_at": "2022-09-04T14:35:58.746439Z",
"structure_string": "Mg14 Si8 H4 O32\n1.0\n5.804197 0.000000 0.000000\n0.000000 11.567013 -0.000000\n0.000000 -0.000000 8.258623\nMg Si H O\n14 8 4 32\ndirect\n0.000000 0.500000 0.000000 Mg\n0.253922 0.114811 0.251541 Mg\n0.253922 0.885189 0.748459 Mg\n0.253922 0.385189 0.251541 Mg\n0.253922 0.614811 0.748459 Mg\n0.746078 0.885189 0.748459 Mg\n0.746078 0.614811 0.748459 Mg\n0.746078 0.114811 0.251541 Mg\n0.000000 0.750000 0.045017 Mg\n0.000000 0.250000 0.954983 Mg\n0.500000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.746078 0.385189 0.251541 Mg\n0.500000 0.123653 0.887577 Si\n0.500000 0.376347 0.887577 Si\n0.500000 0.876347 0.112423 Si\n0.500000 0.623653 0.112423 Si\n0.000000 0.118926 0.608968 Si\n0.000000 0.618926 0.391031 Si\n0.000000 0.381074 0.608968 Si\n0.000000 0.881073 0.391031 Si\n0.000000 0.250000 0.358834 H\n0.000000 0.750000 0.641166 H\n0.500000 0.750000 0.597396 H\n0.500000 0.250000 0.402604 H\n0.740978 0.624582 0.999132 O\n0.740978 0.124582 0.000867 O\n0.740978 0.875418 0.999132 O\n0.259022 0.624582 0.999132 O\n0.259022 0.375418 0.000867 O\n0.259022 0.875418 0.999132 O\n0.230184 0.617539 0.505010 O\n0.230184 0.882460 0.505010 O\n0.230184 0.117540 0.494990 O\n0.230184 0.382460 0.494990 O\n0.769817 0.117540 0.494990 O\n0.769817 0.882460 0.505010 O\n0.740978 0.375418 0.000867 O\n0.259022 0.124582 0.000867 O\n0.500000 0.512188 0.238927 O\n0.500000 0.750000 0.717778 O\n0.500000 0.987811 0.238927 O\n0.500000 0.012189 0.761072 O\n0.000000 0.014400 0.751131 O\n0.000000 0.985599 0.248869 O\n0.000000 0.485599 0.751131 O\n0.000000 0.514400 0.248869 O\n0.500000 0.250000 0.793870 O\n0.500000 0.750000 0.206129 O\n0.000000 0.750000 0.289802 O\n0.000000 0.250000 0.710198 O\n0.500000 0.250000 0.282223 O\n0.769817 0.382460 0.494990 O\n0.000000 0.750000 0.761111 O\n0.000000 0.250000 0.238888 O\n0.500000 0.487811 0.761072 O\n0.769817 0.617539 0.505010 O\n",
"nsites": 58,
"nelements": 4,
"elements": [
"Mg",
"Si",
"H",
"O"
],
"chemical_system": "H-Mg-O-Si",
"density": 3.237355160774604,
"density_atomic": 0.1046060936012671,
"volume": 554.4610070335084,
"volume_molar": 5.756969362564031,
"formula_full": "Mg14 Si8 H4 O32",
"formula_reduced": "Mg7Si4(HO8)2",
"formula_anonymous": "A2B4C7D16",
"energy_above_hull": 2.1326401293103445,
"spacegroup": 51
},
{
"id": "jvasp-112224",
"created_at": "2022-09-04T14:38:45.855592Z",
"updated_at": "2022-09-04T14:38:45.855630Z",
"structure_string": "H28 C18 O12\n1.0\n8.631297 0.000000 -1.377282\n0.000000 5.005919 0.000000\n0.002244 0.000000 10.383371\nH C O\n28 18 12\ndirect\n0.152849 0.216807 0.639910 H\n0.821691 0.128556 0.280660 H\n0.178309 0.628556 0.719340 H\n0.963202 0.256848 0.106229 H\n0.036798 0.756848 0.893771 H\n0.071191 0.367061 0.254775 H\n0.928809 0.867061 0.745225 H\n0.591986 0.692012 0.008921 H\n0.408014 0.192012 -0.008921 H\n0.719683 0.435840 0.970861 H\n0.574137 0.949573 0.315889 H\n0.425863 0.449572 0.684112 H\n0.645262 0.193497 0.524849 H\n0.354737 0.693497 0.475151 H\n0.280316 0.935840 0.029139 H\n0.004174 0.070367 0.485063 H\n0.847151 0.716807 0.360090 H\n0.377824 0.135805 0.527781 H\n0.995826 0.570367 0.514937 H\n0.392609 0.726594 0.866229 H\n0.607391 0.226594 0.133771 H\n0.650371 0.027428 0.869328 H\n0.622175 0.635805 0.472219 H\n0.617618 0.768599 0.749491 H\n0.382381 0.268599 0.250509 H\n0.776683 0.225636 0.739109 H\n0.223316 0.725636 0.260891 H\n0.349629 0.527428 0.130672 H\n0.349739 0.994123 0.601720 C\n0.396488 0.483529 0.233287 C\n0.603512 0.983529 0.766713 C\n0.666096 0.413070 0.168241 C\n0.333904 0.913071 0.831759 C\n0.567307 0.562894 0.259394 C\n0.432693 0.062894 0.740606 C\n0.650261 0.494123 0.398280 C\n0.820256 0.506605 0.378723 C\n0.307972 0.069526 0.952400 C\n0.822075 0.341104 0.254732 C\n0.177924 0.841105 0.745268 C\n0.962343 0.396548 0.187734 C\n0.037656 0.896548 0.812266 C\n0.957578 0.674319 0.134472 C\n0.042422 0.174318 0.865528 C\n0.692028 0.569526 0.047600 C\n0.179744 0.006605 0.621277 C\n0.928861 0.414126 0.487761 O\n0.071138 0.914126 0.512239 O\n0.069790 0.828151 0.145204 O\n0.930210 0.328151 0.854796 O\n0.820629 0.763908 0.072329 O\n0.580812 0.843732 0.236389 O\n0.311051 0.634778 0.316172 O\n0.688948 0.134778 0.683828 O\n0.419187 0.343732 0.763611 O\n0.392633 0.727965 0.569671 O\n0.179371 0.263908 0.927671 O\n0.607367 0.227965 0.430329 O\n",
"nsites": 58,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.615207397800918,
"density_atomic": 0.12927506551710163,
"volume": 448.65573858345675,
"volume_molar": 4.658393121605758,
"formula_full": "H28 C18 O12",
"formula_reduced": "H14(C3O2)3",
"formula_anonymous": "A6B9C14",
"energy_above_hull": 4.626704862068965,
"spacegroup": 4
},
{
"id": "jvasp-112234",
"created_at": "2022-09-04T14:38:46.442920Z",
"updated_at": "2022-09-04T14:38:46.442944Z",
"structure_string": "H32 C20 O8\n1.0\n5.188925 0.000000 -2.118330\n0.000000 14.620964 0.000000\n-0.002281 0.000000 6.246791\nH C O\n32 20 8\ndirect\n0.899783 0.502052 0.752293 H\n0.412318 0.023422 0.461877 H\n0.587683 0.523422 0.538123 H\n0.860846 0.515515 0.457548 H\n0.639477 0.207824 0.896238 H\n0.360524 0.707824 0.103762 H\n0.002342 0.308403 0.126669 H\n-0.002342 0.808403 0.873331 H\n0.433057 0.167759 0.206941 H\n0.566944 0.667759 0.793059 H\n0.108288 0.159186 0.004342 H\n0.891713 0.659186 0.995658 H\n0.205050 0.357890 0.520315 H\n0.794951 0.857890 0.479685 H\n0.181205 0.201507 0.694268 H\n0.818796 0.701507 0.305732 H\n0.139155 0.015515 0.542452 H\n0.174028 0.645072 0.580897 H\n0.825973 0.145072 0.419103 H\n0.100218 0.002052 0.247707 H\n0.295423 0.794384 0.520818 H\n0.704578 0.294384 0.479183 H\n0.313275 0.853801 0.278371 H\n0.686726 0.353802 0.721629 H\n0.496553 0.047745 0.980271 H\n0.585683 0.963546 0.200340 H\n0.414318 0.463546 0.799661 H\n0.306203 0.945406 0.945758 H\n0.693798 0.445406 0.054242 H\n0.243354 0.580199 0.255341 H\n0.756647 0.080199 0.744659 H\n0.503448 0.547745 0.019729 H\n0.331319 0.427687 0.093715 C\n0.668682 0.927687 0.906285 C\n0.793134 0.539340 0.592100 C\n0.498476 0.474146 0.987806 C\n0.398134 0.798471 0.402092 C\n0.601867 0.298471 0.597908 C\n0.501525 0.974146 0.012194 C\n0.585221 0.205264 0.707950 C\n0.206867 0.039341 0.407900 C\n0.414780 0.705263 0.292050 C\n0.796891 0.785987 0.790315 C\n0.845447 0.641390 0.633937 C\n0.203110 0.285987 0.209685 C\n0.231565 0.183545 0.176689 C\n0.768436 0.683545 0.823311 C\n0.302461 0.300921 0.473183 C\n0.697540 0.800921 0.526817 C\n0.284280 0.204544 0.576337 C\n0.715721 0.704544 0.423664 C\n0.154554 0.141391 0.366064 C\n0.737618 0.137221 0.653505 O\n0.262383 0.637221 0.346495 O\n0.183606 0.467820 0.167353 O\n0.122069 0.656503 0.713848 O\n0.354072 0.336385 0.098431 O\n0.645929 0.836385 0.901569 O\n0.816395 0.967820 0.832647 O\n0.877932 0.156503 0.286152 O\n",
"nsites": 60,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.403350535302032,
"density_atomic": 0.12662096453084135,
"volume": 473.8551804775241,
"volume_molar": 4.7560376611514235,
"formula_full": "H32 C20 O8",
"formula_reduced": "H8C5O2",
"formula_anonymous": "A2B5C8",
"energy_above_hull": 4.580653799999999,
"spacegroup": 4
},
{
"id": "jvasp-112193",
"created_at": "2022-09-04T14:38:45.423499Z",
"updated_at": "2022-09-04T14:38:45.423526Z",
"structure_string": "H36 C24\n1.0\n7.272993 0.013657 2.108200\n1.063728 7.254429 2.819860\n0.007841 0.008439 8.099359\nH C\n36 24\ndirect\n0.482321 0.417797 0.140903 H\n0.499775 0.362070 0.518438 H\n0.500225 0.637930 0.481562 H\n0.454899 0.221621 0.747397 H\n0.545101 0.778380 0.252603 H\n0.144046 0.858088 0.620091 H\n0.855954 0.141912 0.379909 H\n0.307378 0.663944 0.698515 H\n0.692622 0.336056 0.301485 H\n0.019008 0.870094 0.932315 H\n0.162544 0.657726 0.010429 H\n0.837455 0.342274 0.989571 H\n0.261796 0.033059 0.930169 H\n0.738204 0.966942 0.069831 H\n0.414093 0.822386 0.980691 H\n0.585907 0.177614 0.019308 H\n0.863020 0.612536 0.210422 H\n0.136980 0.387465 0.789578 H\n0.980991 0.129907 0.067685 H\n0.172588 0.511954 0.554571 H\n0.827412 0.488046 0.445429 H\n0.517679 0.582204 0.859097 H\n0.285493 0.457118 0.308317 H\n0.714507 0.542882 0.691683 H\n0.707941 0.689976 -0.007872 H\n0.092552 0.357375 0.171582 H\n0.907448 0.642626 0.828418 H\n0.292059 0.310024 0.007871 H\n0.658181 0.009129 0.788781 H\n0.150455 0.044149 0.377254 H\n0.849545 0.955852 0.622746 H\n0.057439 0.267768 0.506958 H\n0.942561 0.732233 0.493042 H\n0.046255 0.134370 0.736856 H\n0.341818 0.990872 0.211219 H\n0.953744 0.865631 0.263144 H\n0.803804 0.625124 0.346277 C\n0.400217 0.278276 0.623573 C\n0.599783 0.721725 0.376427 C\n0.385491 0.927792 0.688677 C\n0.758174 0.200226 0.289587 C\n0.241826 0.799774 0.710413 C\n0.160638 0.795510 0.909575 C\n0.196196 0.374877 0.653723 C\n0.839362 0.204491 0.090425 C\n0.614509 0.072209 0.311323 C\n0.867548 0.779620 0.382895 C\n0.638605 0.642116 0.762986 C\n0.659080 0.870573 0.431785 C\n0.340920 0.129428 0.568215 C\n0.724712 0.906369 0.719823 C\n0.275288 0.093632 0.280177 C\n0.761268 0.706470 0.847249 C\n0.238732 0.293531 0.152751 C\n0.361394 0.357884 0.237014 C\n0.592221 0.846095 0.637119 C\n0.407778 0.153906 0.362881 C\n0.313139 0.904175 0.897082 C\n0.132451 0.220381 0.617105 C\n0.686861 0.095825 0.102918 C\n",
"nsites": 60,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.2622686459849939,
"density_atomic": 0.14053425088949503,
"volume": 426.94218398886426,
"volume_molar": 4.285176547271265,
"formula_full": "H36 C24",
"formula_reduced": "H3C2",
"formula_anonymous": "A2B3",
"energy_above_hull": 4.213684,
"spacegroup": 2
},
{
"id": "jvasp-96161",
"created_at": "2022-09-04T14:36:02.114087Z",
"updated_at": "2022-09-04T14:36:02.114122Z",
"structure_string": "C60\n1.0\n8.637989 -0.000000 4.987144\n2.879329 8.143973 4.987144\n-0.000000 -0.000000 9.974290\nC\n60\ndirect\n0.704306 0.398485 0.927644 C\n0.197122 0.969178 0.601058 C\n0.197545 0.802455 0.703198 C\n0.197122 0.232642 0.969178 C\n0.295694 0.601515 0.072355 C\n0.703198 0.197545 0.802454 C\n0.767358 0.398942 0.030821 C\n0.969179 0.197122 0.232641 C\n0.802878 0.398942 0.767358 C\n0.927645 0.969564 0.704305 C\n0.802878 0.030822 0.398942 C\n0.802455 0.197545 0.296801 C\n0.969179 0.601058 0.197121 C\n0.030822 0.398942 0.802878 C\n0.197545 0.296802 0.802455 C\n0.704307 0.969564 0.398485 C\n0.927645 0.398485 0.969563 C\n0.232642 0.969178 0.197121 C\n0.802455 0.703198 0.197544 C\n0.197545 0.703198 0.296802 C\n0.072355 0.030436 0.295694 C\n0.601515 0.072355 0.295693 C\n0.802878 0.767358 0.030821 C\n0.030822 0.767358 0.398942 C\n0.969564 0.704306 0.927644 C\n0.232642 0.197122 0.601058 C\n0.296802 0.802455 0.197545 C\n0.197122 0.601058 0.232641 C\n0.030822 0.802878 0.767358 C\n0.295694 0.072355 0.030436 C\n0.398942 0.767358 0.802878 C\n0.030436 0.072355 0.601515 C\n0.767359 0.802878 0.398941 C\n0.398485 0.927644 0.704306 C\n0.030436 0.295694 0.072355 C\n0.601058 0.969178 0.232641 C\n0.927645 0.704306 0.398484 C\n0.601058 0.232642 0.197122 C\n0.703198 0.296802 0.197545 C\n0.601058 0.197122 0.969178 C\n0.030436 0.601515 0.295693 C\n0.398942 0.802878 0.030821 C\n0.703198 0.802455 0.296801 C\n0.072356 0.601515 0.030436 C\n0.704307 0.927644 0.969563 C\n0.072356 0.295694 0.601515 C\n0.232642 0.601058 0.969178 C\n0.398485 0.969564 0.927644 C\n0.601515 0.030436 0.072355 C\n0.601515 0.295694 0.030436 C\n0.767358 0.030822 0.802878 C\n0.295694 0.030436 0.601515 C\n0.296802 0.197545 0.703198 C\n0.969179 0.232642 0.601057 C\n0.398942 0.030822 0.767358 C\n0.969564 0.398485 0.704306 C\n0.969564 0.927644 0.398484 C\n0.296802 0.703198 0.802455 C\n0.398485 0.704306 0.969563 C\n0.802455 0.296802 0.703198 C\n",
"nsites": 60,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.7054449459814844,
"density_atomic": 0.0855106657120762,
"volume": 701.6668564132875,
"volume_molar": 7.042560959912544,
"formula_full": "C60",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy_above_hull": 0.4149700000000003,
"spacegroup": 202
},
{
"id": "jvasp-98907",
"created_at": "2022-09-04T14:36:03.358747Z",
"updated_at": "2022-09-04T14:36:03.358771Z",
"structure_string": "B10 H24 N2 O24\n1.0\n11.296214 0.000000 0.000000\n0.000000 5.464170 4.474275\n0.000000 -5.464170 4.474275\nB H N O\n10 24 2 24\ndirect\n0.500000 0.104126 0.104126 B\n0.000000 0.604125 0.604125 B\n0.316318 0.301584 0.100810 B\n0.683681 0.100810 0.301584 B\n0.183681 0.801584 0.600810 B\n0.816318 0.600810 0.801584 B\n0.297205 0.958312 0.057185 B\n0.702795 0.057185 0.958312 B\n0.202795 0.458312 0.557185 B\n0.797205 0.557185 0.458312 B\n0.985380 0.499284 0.207268 H\n0.014619 0.207268 0.499284 H\n0.027479 0.165439 0.024611 H\n0.972521 0.024611 0.165439 H\n0.430487 0.429909 0.491280 H\n0.930487 -0.008720 0.929909 H\n0.069513 0.929909 -0.008720 H\n0.569513 0.491280 0.429909 H\n0.485380 0.707267 0.999284 H\n0.472521 0.665439 0.524610 H\n0.514619 0.999284 0.707267 H\n0.527479 0.524610 0.665439 H\n-0.001312 0.511359 0.983258 H\n0.498688 0.483258 0.011360 H\n0.501312 0.011360 0.483258 H\n0.752329 0.538016 0.180783 H\n0.247670 0.180783 0.538016 H\n0.747670 0.038016 0.680783 H\n0.252330 0.680783 0.038016 H\n0.001312 0.983258 0.511359 H\n0.671675 0.607462 0.961654 H\n0.328324 0.961654 0.607462 H\n0.828324 0.107463 0.461654 H\n0.171675 0.461654 0.107463 H\n0.500000 0.525403 0.525403 N\n0.000000 0.025404 0.025404 N\n0.471402 0.945525 0.585776 O\n0.719930 0.519566 0.306851 O\n0.280070 0.306851 0.519566 O\n0.780070 0.019566 0.806851 O\n0.528598 0.585776 0.945525 O\n0.219930 0.806851 0.019566 O\n0.760871 0.613970 0.976325 O\n0.239128 0.976325 0.613970 O\n0.739128 0.113971 0.476326 O\n0.260872 0.476326 0.113971 O\n0.745784 0.574431 0.638711 O\n0.416936 0.937988 0.074812 O\n0.754216 0.074432 0.138712 O\n0.245784 0.138712 0.074432 O\n0.916936 0.574812 0.437988 O\n0.083063 0.437988 0.574812 O\n0.583063 0.074812 0.937988 O\n0.936916 0.610538 0.789847 O\n0.063084 0.789847 0.610538 O\n0.563084 0.110538 0.289847 O\n0.436916 0.289847 0.110538 O\n0.028598 0.445525 0.085776 O\n0.254216 0.638711 0.574431 O\n0.971401 0.085776 0.445525 O\n",
"nsites": 60,
"nelements": 4,
"elements": [
"B",
"H",
"N",
"O"
],
"chemical_system": "B-H-N-O",
"density": 1.6363541335215177,
"density_atomic": 0.10862792094132727,
"volume": 552.344180760005,
"volume_molar": 5.543824007506056,
"formula_full": "B10 H24 N2 O24",
"formula_reduced": "B5H12NO12",
"formula_anonymous": "AB5C12D12",
"energy_above_hull": 3.692423938888889,
"spacegroup": 41
},
{
"id": "jvasp-96788",
"created_at": "2022-09-04T14:36:08.593301Z",
"updated_at": "2022-09-04T14:36:08.593329Z",
"structure_string": "Co4 H24 C8 O24\n1.0\n6.963825 0.000000 0.000000\n0.000000 8.515800 -1.178080\n0.000000 -0.083744 9.260312\nCo H C O\n4 24 8 24\ndirect\n0.500000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 -0.000000 Co\n0.959989 0.328921 0.878432 H\n0.540012 0.328921 0.378432 H\n0.040012 0.671079 0.121568 H\n0.737589 0.907390 0.239216 H\n0.237588 0.092610 0.260784 H\n0.262412 0.092611 0.760783 H\n0.762412 0.907390 0.739216 H\n0.105578 0.791051 0.478748 H\n0.605578 0.208949 0.021252 H\n0.894423 0.208949 0.521252 H\n0.880655 0.761022 0.444000 H\n0.459989 0.671079 0.621568 H\n0.380655 0.238979 0.056000 H\n0.119346 0.238979 0.556000 H\n0.619346 0.761022 0.944000 H\n0.905058 0.293313 0.265504 H\n0.405058 0.706688 0.234496 H\n0.094943 0.706688 0.734496 H\n0.594943 0.293313 0.765504 H\n0.843313 0.464676 0.226457 H\n0.343312 0.535324 0.273543 H\n0.394422 0.791052 0.978748 H\n0.156688 0.535325 0.773543 H\n0.656688 0.464676 0.726457 H\n0.396748 0.329005 0.430251 C\n0.704241 0.023318 0.785488 C\n0.204241 0.976682 0.714512 C\n0.295760 0.976682 0.214512 C\n0.896748 0.670995 0.069749 C\n0.103253 0.329005 0.930251 C\n0.603253 0.670996 0.569749 C\n0.795760 0.023318 0.285488 C\n0.717228 0.559537 0.586750 O\n0.217228 0.440463 0.913250 O\n0.282773 0.440463 0.413250 O\n0.782773 0.559537 0.086750 O\n0.354972 0.217296 0.501350 O\n0.854972 0.782704 -0.001350 O\n0.645029 0.782704 0.498650 O\n0.145029 0.217296 0.001350 O\n0.744126 0.081904 0.413722 O\n0.244125 0.918096 0.086278 O\n0.255875 0.918096 0.586278 O\n0.755876 0.081904 0.913722 O\n0.408439 0.907494 0.291819 O\n0.618487 0.405061 0.807308 O\n0.591561 0.092507 0.708181 O\n0.012847 0.719299 0.419984 O\n0.512847 0.280701 0.080015 O\n0.987154 0.280701 0.580015 O\n0.487154 0.719300 0.919984 O\n0.881514 0.405060 0.307308 O\n0.381513 0.594940 0.192692 O\n0.118487 0.594940 0.692692 O\n0.908440 0.092506 0.208181 O\n0.091561 0.907494 0.791819 O\n",
"nsites": 60,
"nelements": 4,
"elements": [
"Co",
"H",
"C",
"O"
],
"chemical_system": "C-Co-H-O",
"density": 2.240383467788063,
"density_atomic": 0.1093946282689531,
"volume": 548.4730004519645,
"volume_molar": 5.50496935296879,
"formula_full": "Co4 H24 C8 O24",
"formula_reduced": "CoH6(CO3)2",
"formula_anonymous": "AB2C6D6",
"energy_above_hull": 3.6861761266666666,
"spacegroup": 14
},
{
"id": "jvasp-98298",
"created_at": "2022-09-04T14:38:11.981443Z",
"updated_at": "2022-09-04T14:38:11.981470Z",
"structure_string": "K8 Fe8 As8 O36\n1.0\n5.749918 0.000000 0.000000\n0.000000 8.416593 0.000000\n0.000000 0.000000 18.147980\nK Fe As O\n8 8 8 36\ndirect\n0.750000 0.957226 0.263063 K\n0.250000 0.102493 0.129235 K\n0.750000 0.457226 0.236937 K\n0.750000 0.897506 0.870765 K\n0.250000 0.542773 0.763063 K\n0.250000 0.042774 0.736937 K\n0.250000 0.602493 0.370765 K\n0.750000 0.397506 0.629235 K\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.750000 0.286778 0.429169 Fe\n0.750000 0.786778 0.070831 Fe\n0.250000 0.213222 0.929169 Fe\n0.250000 0.713222 0.570831 Fe\n0.000000 0.500000 0.000000 Fe\n0.750000 0.682144 0.442701 As\n0.250000 0.317856 0.557299 As\n0.250000 0.177627 0.347701 As\n0.750000 0.322372 0.847701 As\n0.750000 0.822372 0.652299 As\n0.250000 0.677627 0.152299 As\n0.250000 0.817856 0.942701 As\n0.750000 0.182144 0.057299 As\n0.993892 0.698695 0.642622 O\n-0.001792 0.273970 0.020075 O\n0.750000 0.686834 0.349736 O\n0.750000 0.492302 0.477149 O\n0.493891 0.801305 0.142622 O\n0.250000 0.578523 0.232546 O\n0.501792 0.773970 0.479925 O\n0.750000 0.921477 0.732546 O\n0.501792 0.273970 0.020075 O\n0.250000 0.507697 0.522851 O\n0.506109 0.198695 0.857378 O\n0.250000 0.313165 0.650264 O\n0.750000 0.547167 0.062112 O\n0.006109 0.801305 0.142622 O\n0.750000 0.992302 0.022851 O\n0.498208 0.226029 0.520075 O\n0.750000 0.047167 0.437888 O\n0.250000 0.007698 0.977149 O\n0.493891 0.301305 0.357378 O\n0.750000 0.464958 0.917753 O\n0.006109 0.301305 0.357378 O\n0.498208 0.726029 0.979925 O\n0.001792 0.726029 0.979925 O\n0.750000 0.421477 0.767454 O\n0.750000 0.186834 0.150264 O\n-0.001792 0.773970 0.479925 O\n0.250000 0.452833 0.937888 O\n0.250000 0.952833 0.562112 O\n0.250000 0.535042 0.082247 O\n0.250000 0.813165 0.849736 O\n0.506109 0.698695 0.642622 O\n0.250000 0.078523 0.267454 O\n0.001792 0.226029 0.520075 O\n0.250000 0.035042 0.417753 O\n0.750000 0.964957 0.582247 O\n0.993892 0.198695 0.857378 O\n",
"nsites": 60,
"nelements": 4,
"elements": [
"K",
"Fe",
"As",
"O"
],
"chemical_system": "As-Fe-K-O",
"density": 3.658312606419128,
"density_atomic": 0.06831640124278991,
"volume": 878.2664032135677,
"volume_molar": 8.815073174885036,
"formula_full": "K8 Fe8 As8 O36",
"formula_reduced": "K2Fe2As2O9",
"formula_anonymous": "A2B2C2D9",
"energy_above_hull": 2.4929354666666668,
"spacegroup": 62
},
{
"id": "jvasp-22122",
"created_at": "2022-09-04T14:37:44.107352Z",
"updated_at": "2022-09-04T14:37:44.107371Z",
"structure_string": "Ca12 Si8 Sn4 O36\n1.0\n0.000000 7.378050 -0.007524\n10.165736 0.000000 0.000000\n0.000000 -0.208147 -10.476416\nCa Si Sn O\n12 8 4 36\ndirect\n0.363961 0.920633 0.888942 Ca\n0.372895 0.194854 0.402445 Ca\n0.627105 0.805146 0.597555 Ca\n0.372894 0.305146 0.902445 Ca\n0.882019 0.166186 0.415224 Ca\n0.117981 0.666186 0.084776 Ca\n0.627105 0.694855 0.097555 Ca\n0.882019 0.333814 0.915224 Ca\n0.363961 0.579368 0.388942 Ca\n0.636039 0.079368 0.111058 Ca\n0.636039 0.420632 0.611058 Ca\n0.117980 0.833814 0.584776 Ca\n0.600159 0.135710 0.693911 Si\n0.399841 0.635711 0.806089 Si\n0.399841 0.864290 0.306089 Si\n0.600159 0.364290 0.193911 Si\n0.166564 0.124528 0.684150 Si\n0.833435 0.624529 0.815851 Si\n0.833435 0.875472 0.315850 Si\n0.166564 0.375472 0.184149 Si\n0.879988 0.940047 0.882577 Sn\n0.120011 0.440047 0.617423 Sn\n0.879988 0.559954 0.382577 Sn\n0.120011 0.059953 0.117423 Sn\n0.352620 0.766646 0.721640 O\n0.647379 0.266646 0.778360 O\n0.898479 0.767865 0.760636 O\n0.101520 0.267865 0.739364 O\n0.101521 0.232135 0.239364 O\n0.898479 0.732135 0.260636 O\n0.383144 0.392289 0.231039 O\n0.616855 0.892290 0.268961 O\n0.616855 0.607711 0.768961 O\n0.915224 0.003804 0.241621 O\n0.084775 0.503804 0.258378 O\n0.084775 0.996196 0.758379 O\n0.915224 0.496196 0.741622 O\n0.855179 0.607801 0.968344 O\n0.144820 0.107801 0.531656 O\n0.383144 0.107711 0.731039 O\n0.352620 0.733354 0.221640 O\n0.091635 0.616984 0.509411 O\n0.304661 0.003038 0.262952 O\n0.341790 0.389929 0.516467 O\n0.658210 0.889929 0.983533 O\n0.658210 0.610071 0.483533 O\n0.341790 0.110071 0.016467 O\n0.908365 0.116984 0.990589 O\n0.144820 0.392199 0.031656 O\n0.091635 0.883017 0.009411 O\n0.908365 0.383017 0.490589 O\n0.620275 0.167162 0.543284 O\n0.379724 0.667162 0.956717 O\n0.379724 0.832839 0.456716 O\n0.620275 0.332838 0.043283 O\n0.695339 0.996962 0.737048 O\n0.304661 0.496962 0.762953 O\n0.855179 0.892200 0.468344 O\n0.647379 0.233354 0.278360 O\n0.695339 0.503039 0.237047 O\n",
"nsites": 60,
"nelements": 4,
"elements": [
"Ca",
"Si",
"Sn",
"O"
],
"chemical_system": "Ca-O-Si-Sn",
"density": 3.7117615210428556,
"density_atomic": 0.07635707698600673,
"volume": 785.7817817069616,
"volume_molar": 7.886814160138194,
"formula_full": "Ca12 Si8 Sn4 O36",
"formula_reduced": "Ca3Si2SnO9",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 2.042944110666667,
"spacegroup": 14
},
{
"id": "jvasp-101984",
"created_at": "2022-09-04T14:37:07.649796Z",
"updated_at": "2022-09-04T14:37:07.649824Z",
"structure_string": "H28 C32\n1.0\n8.003235 0.000000 -2.795633\n0.000000 5.602917 0.000000\n-0.028679 0.000000 12.044330\nH C\n28 32\ndirect\n0.253256 0.778713 0.103663 H\n0.631897 0.479111 0.520989 H\n0.368103 0.979112 0.479011 H\n0.694114 0.487415 0.336209 H\n0.305885 0.987415 0.663791 H\n0.836327 0.836494 0.284484 H\n0.163672 0.336493 0.715516 H\n0.085388 0.685114 0.577395 H\n0.850283 0.179544 0.607414 H\n0.149716 0.679544 0.392587 H\n0.563939 0.676458 0.793658 H\n0.436060 0.176457 0.206343 H\n0.511735 0.553822 0.642820 H\n0.488265 0.053822 0.357180 H\n0.914611 0.185113 0.422605 H\n0.008147 0.849235 0.081135 H\n0.991853 0.349235 0.918865 H\n0.746743 0.278713 0.896337 H\n0.443850 0.656768 0.214776 H\n0.556150 0.156767 0.785224 H\n0.997382 0.658516 0.761908 H\n0.693882 0.157098 0.158528 H\n0.002617 0.158516 0.238092 H\n0.306117 0.657099 0.841472 H\n0.540666 0.500134 0.037464 H\n0.459333 0.000134 0.962536 H\n0.703704 0.841681 0.997163 H\n0.296295 0.341681 0.002837 H\n0.735274 0.830061 0.578750 C\n0.301955 0.328166 0.309272 C\n0.698045 0.828166 0.690728 C\n0.264725 0.330061 0.421251 C\n0.585380 0.677791 0.709442 C\n0.184742 0.527024 0.451818 C\n0.726908 0.640775 0.394886 C\n0.148915 0.530809 0.556888 C\n0.851084 0.030809 0.443112 C\n0.193032 0.337526 0.634041 C\n0.806967 0.837526 0.365959 C\n0.273091 0.140775 0.605114 C\n0.414620 0.177790 0.290559 C\n0.815257 0.027023 0.548182 C\n0.058675 0.194458 0.902525 C\n0.691634 0.154509 0.824532 C\n0.232509 0.191548 0.949234 C\n0.767490 0.691549 0.050766 C\n0.323193 0.999768 0.927095 C\n0.676806 0.499768 0.072905 C\n0.237418 0.808476 0.859409 C\n0.762582 0.308475 0.140591 C\n0.063034 0.809795 0.813814 C\n0.936966 0.309794 0.186186 C\n0.970078 0.003472 0.833646 C\n0.029922 0.503473 0.166354 C\n0.784676 0.004031 0.784638 C\n0.215323 0.504032 0.215362 C\n0.308352 0.136497 0.500280 C\n0.308365 0.654509 0.175468 C\n0.941324 0.694459 0.097475 C\n0.691648 0.636497 0.499720 C\n",
"nsites": 60,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.2695217838546333,
"density_atomic": 0.11118602990921175,
"volume": 539.6361399808287,
"volume_molar": 5.41627465691269,
"formula_full": "H28 C32",
"formula_reduced": "H7C8",
"formula_anonymous": "A7B8",
"energy_above_hull": 5.490373333333333,
"spacegroup": 4
},
{
"id": "jvasp-104022",
"created_at": "2022-09-04T14:36:30.492885Z",
"updated_at": "2022-09-04T14:36:30.492911Z",
"structure_string": "H28 C32\n1.0\n7.802328 0.000000 -2.509177\n0.000000 7.919371 0.000000\n-0.007794 0.000000 8.574330\nH C\n28 32\ndirect\n0.535075 0.709925 0.011686 H\n0.083516 0.281634 0.310148 H\n0.916485 0.781634 0.689852 H\n0.196634 0.292676 0.522378 H\n0.803367 0.792676 0.477622 H\n0.183373 0.098875 0.412215 H\n0.816628 0.598875 0.587785 H\n0.832292 0.472500 0.352881 H\n0.368942 0.070212 0.673869 H\n0.631059 0.570212 0.326130 H\n0.335846 0.946120 0.831911 H\n0.664155 0.446120 0.168089 H\n0.838686 0.095658 0.208366 H\n0.161315 0.595658 0.791634 H\n0.167709 0.972500 0.647119 H\n0.456534 0.556811 0.779336 H\n0.543466 0.056811 0.220664 H\n0.464926 0.209925 0.988314 H\n0.623043 0.914963 0.831970 H\n0.376958 0.414963 0.168030 H\n0.067201 0.481938 0.109384 H\n0.226005 0.935713 0.044307 H\n0.932800 0.981938 0.890616 H\n0.773995 0.435713 0.955693 H\n0.446418 0.795863 0.273271 H\n0.553583 0.295863 0.726729 H\n0.528184 0.655267 0.532572 H\n0.471817 0.155268 0.467428 H\n0.811985 0.117302 0.323712 C\n0.356109 0.600167 0.671447 C\n0.643891 0.100167 0.328552 C\n0.188015 0.617302 0.676288 C\n0.604584 0.151642 0.466811 C\n0.054078 0.670700 0.540895 C\n0.273891 0.037650 0.735505 C\n0.088068 0.702790 0.389811 C\n0.911933 0.202790 0.610188 C\n0.958239 0.744946 0.234721 C\n0.041761 0.244946 0.765279 C\n0.726110 0.537650 0.264495 C\n0.395417 0.651642 0.533189 C\n0.945923 0.170700 0.459105 C\n0.735220 0.208757 0.605927 C\n0.215145 0.187484 0.813300 C\n0.689179 0.288092 0.736763 C\n0.310822 0.788092 0.263237 C\n0.809818 0.363393 0.863089 C\n0.190183 0.863393 0.136910 C\n0.988679 0.341572 0.883049 C\n0.011321 0.841572 0.116951 C\n0.111053 0.404746 0.024947 C\n0.888948 0.904746 0.975053 C\n0.283027 0.366572 0.057800 C\n0.716974 0.866572 0.942200 C\n0.332349 0.254072 0.954508 C\n0.667651 0.754072 0.045492 C\n0.887345 0.712799 0.573283 C\n0.784856 0.687484 0.186700 C\n0.264781 0.708757 0.394073 C\n0.112655 0.212799 0.426717 C\n",
"nsites": 60,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.2934602059924143,
"density_atomic": 0.1132825816609345,
"volume": 529.6489462041542,
"volume_molar": 5.31603417904514,
"formula_full": "H28 C32",
"formula_reduced": "H7C8",
"formula_anonymous": "A7B8",
"energy_above_hull": 5.487643333333334,
"spacegroup": 4
}
]
}