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=4531",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=4529",
"results": [
{
"id": "jvasp-32684",
"created_at": "2022-09-04T14:36:44.169522Z",
"updated_at": "2022-09-04T14:36:44.169543Z",
"structure_string": "Zn1 Sb2 Xe6 F24\n1.0\n8.446112 -0.017361 4.051304\n2.542827 8.054262 4.051304\n-0.023739 -0.017361 9.367460\nZn Sb Xe F\n1 2 6 24\ndirect\n0.000000 0.000000 0.000000 Zn\n0.253525 0.253525 0.253525 Sb\n0.746475 0.746475 0.746475 Sb\n0.786264 0.267649 0.693865 Xe\n0.693865 0.786264 0.267648 Xe\n0.213736 0.732351 0.306134 Xe\n0.306134 0.213736 0.732351 Xe\n0.267649 0.693865 0.786263 Xe\n0.732351 0.306135 0.213736 Xe\n0.871786 0.902012 0.615397 F\n0.615397 0.871786 0.902012 F\n0.097988 0.384602 0.128214 F\n0.627056 0.584729 0.872817 F\n0.117040 0.947482 0.780983 F\n0.384602 0.128214 0.097987 F\n0.780177 0.412933 0.459943 F\n0.415271 0.127183 0.372944 F\n0.219823 0.587067 0.540056 F\n0.902012 0.615398 0.871786 F\n0.219017 0.882960 0.052518 F\n0.459944 0.780177 0.412933 F\n0.540056 0.219823 0.587067 F\n0.780983 0.117040 0.947481 F\n0.412933 0.459943 0.780177 F\n0.127183 0.372944 0.415271 F\n0.584729 0.872817 0.627056 F\n0.128214 0.097988 0.384602 F\n0.372944 0.415271 0.127182 F\n0.882960 0.052518 0.219016 F\n0.872817 0.627056 0.584728 F\n0.052518 0.219016 0.882961 F\n0.947482 0.780984 0.117039 F\n0.587067 0.540057 0.219823 F\n",
"nsites": 33,
"nelements": 4,
"elements": [
"Zn",
"Sb",
"Xe",
"F"
],
"chemical_system": "F-Sb-Xe-Zn",
"density": 4.035760419540174,
"density_atomic": 0.051655553753067456,
"volume": 638.8470861768734,
"volume_molar": 11.658263869918127,
"formula_full": "Zn1 Sb2 Xe6 F24",
"formula_reduced": "ZnSb2(XeF4)6",
"formula_anonymous": "AB2C6D24",
"energy_above_hull": 0.0,
"spacegroup": 148
},
{
"id": "jvasp-29988",
"created_at": "2022-09-04T14:38:08.097312Z",
"updated_at": "2022-09-04T14:38:08.097338Z",
"structure_string": "Cd11 I22\n1.0\n4.287337 -0.000000 -0.000000\n-2.143669 3.712943 -0.000000\n-0.000000 0.000000 75.639552\nCd I\n11 22\ndirect\n0.666667 0.333333 0.204539 Cd\n0.666667 0.333333 0.295465 Cd\n0.666667 0.333333 0.477260 Cd\n0.666667 0.333333 0.749971 Cd\n0.666667 0.333333 0.113640 Cd\n0.666667 0.333333 0.659083 Cd\n0.666667 0.333333 0.386386 Cd\n-0.000000 -0.000000 0.840904 Cd\n0.666667 0.333333 0.022730 Cd\n0.666667 0.333333 0.931810 Cd\n-0.000000 -0.000000 0.568169 Cd\n0.333333 0.666667 0.227460 I\n0.666667 0.333333 0.817996 I\n0.333333 0.666667 0.682003 I\n-0.000000 -0.000000 0.090725 I\n0.666667 0.333333 0.545262 I\n0.333333 0.666667 0.318387 I\n-0.000000 -0.000000 0.999816 I\n-0.000000 -0.000000 0.272550 I\n-0.000000 -0.000000 0.908896 I\n0.333333 0.666667 0.045652 I\n-0.000000 -0.000000 0.636171 I\n-0.000000 -0.000000 0.727059 I\n0.333333 0.666667 0.954731 I\n0.333333 0.666667 0.863832 I\n0.333333 0.666667 0.136561 I\n-0.000000 -0.000000 0.181624 I\n0.333333 0.666667 0.409305 I\n-0.000000 -0.000000 0.454350 I\n0.333333 0.666667 0.591097 I\n-0.000000 -0.000000 0.363471 I\n0.333333 0.666667 0.772901 I\n0.333333 0.666667 0.500189 I\n",
"nsites": 33,
"nelements": 2,
"elements": [
"Cd",
"I"
],
"chemical_system": "Cd-I",
"density": 5.555573757170919,
"density_atomic": 0.027406847791909283,
"volume": 1204.0786394173306,
"volume_molar": 21.973124402061966,
"formula_full": "Cd11 I22",
"formula_reduced": "CdI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.00016,
"spacegroup": 156
},
{
"id": "jvasp-24807",
"created_at": "2022-09-04T14:38:16.034235Z",
"updated_at": "2022-09-04T14:38:16.034260Z",
"structure_string": "V18 C15\n1.0\n2.555824 -4.426817 0.000000\n2.555824 4.426817 -0.000000\n-0.000000 -0.000000 14.386703\nV C\n18 15\ndirect\n0.248677 0.470709 0.418476 V\n0.888329 0.753326 0.423570 V\n0.246672 0.135003 0.756903 V\n0.888330 0.135002 0.576430 V\n0.864996 0.753326 0.909763 V\n0.246672 0.111669 0.243097 V\n0.527707 0.416989 0.582292 V\n0.889280 0.472291 0.248958 V\n0.583010 0.110718 0.915625 V\n0.864996 0.111668 0.090236 V\n0.889280 0.416988 0.751042 V\n0.583010 0.472292 0.084375 V\n0.248676 0.777967 0.581523 V\n0.529289 0.751321 0.248190 V\n0.222032 0.470709 0.914856 V\n0.222031 0.751322 0.085143 V\n0.529289 0.777967 0.751810 V\n0.527707 0.110718 0.417708 V\n0.554163 0.445836 0.333333 C\n0.559339 0.779669 0.000000 C\n0.220329 0.440660 0.666667 C\n0.220329 0.779669 0.333333 C\n0.215539 0.107769 0.500000 C\n0.892229 0.784459 0.166667 C\n0.555996 0.444003 0.833333 C\n0.888006 0.444002 0.500000 C\n0.555996 0.111992 0.166667 C\n0.560253 0.780126 0.500000 C\n0.219872 0.439745 0.166667 C\n0.219872 0.780127 0.833333 C\n0.554163 0.108325 0.666667 C\n0.892230 0.107768 0.833333 C\n0.891673 0.445835 0.000000 C\n",
"nsites": 33,
"nelements": 2,
"elements": [
"V",
"C"
],
"chemical_system": "C-V",
"density": 5.596087476251499,
"density_atomic": 0.10136783081547546,
"volume": 325.5470669000644,
"volume_molar": 5.940879578416136,
"formula_full": "V18 C15",
"formula_reduced": "V6C5",
"formula_anonymous": "A5B6",
"energy_above_hull": 6.140180472727273,
"spacegroup": 151
},
{
"id": "jvasp-98213",
"created_at": "2022-09-04T14:35:53.952787Z",
"updated_at": "2022-09-04T14:35:53.952811Z",
"structure_string": "Si1 Bi12 O20\n1.0\n8.287887 -0.000000 -2.930211\n-4.143944 7.177521 -2.930211\n0.000000 0.000000 8.790632\nSi Bi O\n1 12 20\ndirect\n0.000000 0.000000 0.000000 Si\n0.332028 0.189086 0.493926 Bi\n0.142942 0.304840 0.810914 Bi\n0.161899 0.857058 0.667972 Bi\n0.506074 0.695159 0.838102 Bi\n0.810915 0.142942 0.304841 Bi\n0.857058 0.667972 0.161899 Bi\n0.493926 0.332028 0.189086 Bi\n0.189086 0.493926 0.332028 Bi\n0.695160 0.838102 0.506074 Bi\n0.304841 0.810914 0.142942 Bi\n0.667973 0.161898 0.857058 Bi\n0.838102 0.506074 0.695160 Bi\n0.872818 0.253692 0.643814 O\n0.380874 0.127183 0.770996 O\n0.609878 0.229003 0.356186 O\n0.189413 0.000000 0.000000 O\n0.356186 0.609878 0.229004 O\n0.746309 0.619126 0.390122 O\n0.390123 0.746308 0.619126 O\n0.619126 0.390122 0.746308 O\n0.229004 0.356186 0.609878 O\n0.770997 0.380874 0.127183 O\n0.253692 0.643814 0.872817 O\n0.397079 0.397079 0.397079 O\n0.000000 0.602921 0.000000 O\n-0.000000 -0.000000 0.602921 O\n0.602921 0.000000 0.000000 O\n0.810588 0.810587 0.810587 O\n0.000000 0.189413 0.000000 O\n-0.000000 -0.000000 0.189413 O\n0.127183 0.770996 0.380874 O\n0.643815 0.872817 0.253692 O\n",
"nsites": 33,
"nelements": 3,
"elements": [
"Si",
"Bi",
"O"
],
"chemical_system": "Bi-O-Si",
"density": 9.068685032210963,
"density_atomic": 0.06310671115733114,
"volume": 522.9237809228848,
"volume_molar": 9.5427897438455,
"formula_full": "Si1 Bi12 O20",
"formula_reduced": "Si(Bi3O5)4",
"formula_anonymous": "AB12C20",
"energy_above_hull": 2.3844694000000004,
"spacegroup": 197
},
{
"id": "jvasp-101869",
"created_at": "2022-09-04T14:36:48.127595Z",
"updated_at": "2022-09-04T14:36:48.127619Z",
"structure_string": "Sn1 H18 C10 O4\n1.0\n5.153430 -0.027427 -0.137901\n-0.065008 6.363885 -1.189401\n-0.155731 0.197830 9.384912\nSn H C O\n1 18 10 4\ndirect\n0.723986 0.328315 0.679467 Sn\n0.144310 0.934302 0.251713 H\n0.032457 0.204392 0.463505 H\n0.804870 0.483338 0.959771 H\n0.923850 0.671707 0.853646 H\n0.108033 0.440079 0.873117 H\n0.099340 0.709010 0.118647 H\n0.816430 0.989632 0.481197 H\n0.274178 0.491784 0.306424 H\n0.702933 0.202380 0.392563 H\n0.113229 0.792659 0.557142 H\n0.376771 0.903021 0.476976 H\n0.453525 0.741473 0.887973 H\n0.227958 0.943908 0.934503 H\n0.513086 0.107074 0.140866 H\n0.779303 0.956230 0.075286 H\n0.622895 0.819420 0.281474 H\n0.560154 0.630340 0.126604 H\n0.968129 0.603177 0.340926 H\n0.502450 0.786588 0.180590 C\n0.568202 0.950249 0.086386 C\n0.435232 0.908097 0.933977 C\n0.276292 0.756355 0.486881 C\n0.174545 0.642137 0.335044 C\n0.565883 0.034806 0.835215 C\n0.461619 0.622464 0.556794 C\n0.831950 0.157052 0.477646 C\n0.914644 0.506892 0.866230 C\n0.216328 0.774917 0.216441 C\n0.364954 0.476717 0.620996 O\n0.423709 0.161469 0.771376 O\n0.806398 0.026712 0.816463 O\n0.704869 0.639801 0.551414 O\n",
"nsites": 33,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 1.7256805454880808,
"density_atomic": 0.10685077829781564,
"volume": 308.8419244642472,
"volume_molar": 5.636028914281772,
"formula_full": "Sn1 H18 C10 O4",
"formula_reduced": "SnH18(C5O2)2",
"formula_anonymous": "AB4C10D18",
"energy_above_hull": 4.552987445454545,
"spacegroup": 1
},
{
"id": "jvasp-5650",
"created_at": "2022-09-04T14:36:48.435663Z",
"updated_at": "2022-09-04T14:36:48.435680Z",
"structure_string": "Re6 Pb3 O24\n1.0\n5.716389 -9.901074 -0.000000\n5.716389 9.901074 -0.000000\n-0.000000 -0.000000 4.612786\nRe Pb O\n6 3 24\ndirect\n0.000000 0.377515 0.985106 Re\n0.622485 0.622485 0.985106 Re\n0.377515 0.000000 0.985106 Re\n0.710616 0.000000 0.493730 Re\n0.289384 0.289384 0.493730 Re\n0.000000 0.710616 0.493730 Re\n0.000000 0.000000 0.019004 Pb\n0.333333 0.666667 0.461538 Pb\n0.666667 0.333333 0.461538 Pb\n0.624521 0.475654 0.097906 O\n0.524346 0.148866 0.097906 O\n0.475654 0.624521 0.097906 O\n0.148866 0.524346 0.097906 O\n0.853583 0.564312 0.611488 O\n0.000000 0.710617 0.117018 O\n0.289383 0.289383 0.117018 O\n0.710617 0.000000 0.117018 O\n0.851134 0.375480 0.097906 O\n0.375480 0.851134 0.097906 O\n0.229945 0.000000 0.092791 O\n0.146417 0.710729 0.611488 O\n0.000000 0.229945 0.092791 O\n0.289271 0.435688 0.611488 O\n0.435688 0.289271 0.611488 O\n0.564312 0.853583 0.611488 O\n0.000000 0.858428 0.603737 O\n0.141572 0.141572 0.603737 O\n0.858428 0.000000 0.603737 O\n0.000000 0.381391 0.608176 O\n0.618609 0.618609 0.608176 O\n0.381391 0.000000 0.608176 O\n0.770055 0.770055 0.092791 O\n0.710729 0.146417 0.611488 O\n",
"nsites": 33,
"nelements": 3,
"elements": [
"Re",
"Pb",
"O"
],
"chemical_system": "O-Pb-Re",
"density": 6.75097405736243,
"density_atomic": 0.06319992399767263,
"volume": 522.1525266583428,
"volume_molar": 9.528715193109676,
"formula_full": "Re6 Pb3 O24",
"formula_reduced": "Re2PbO8",
"formula_anonymous": "AB2C8",
"energy_above_hull": 3.5215404381818187,
"spacegroup": 157
},
{
"id": "jvasp-103870",
"created_at": "2022-09-04T14:37:14.999565Z",
"updated_at": "2022-09-04T14:37:14.999591Z",
"structure_string": "Sn1 H18 C10 O4\n1.0\n4.858637 0.078362 -0.647931\n-2.426168 7.108811 -1.326587\n-0.029732 0.122809 8.454368\nSn H C O\n1 18 10 4\ndirect\n0.838615 0.700547 0.319283 Sn\n0.595853 0.372067 0.906932 H\n0.248509 0.024425 0.462648 H\n0.768881 0.335525 0.240099 H\n0.428756 0.376690 0.175831 H\n0.544146 0.370789 0.385294 H\n0.574585 0.233181 0.714885 H\n0.132866 0.030313 0.253209 H\n0.138663 0.442612 0.789386 H\n0.908311 0.065561 0.398513 H\n0.684346 0.540008 0.637996 H\n0.592660 0.678148 0.794868 H\n0.992810 0.861058 0.000564 H\n0.084483 0.722894 0.843707 H\n0.538461 0.958439 0.849142 H\n0.531708 0.084040 0.040957 H\n0.102493 0.167849 0.923598 H\n0.081260 0.028947 0.731566 H\n0.145416 0.317047 0.597555 H\n0.235018 0.117271 0.841950 C\n0.392377 -0.000604 0.925464 C\n0.177866 0.827005 0.958438 C\n0.499286 0.574062 0.680120 C\n0.284740 0.401660 0.713059 C\n0.301542 0.729875 0.079374 C\n0.375658 0.671225 0.559200 C\n0.062117 -0.007020 0.363982 C\n0.615053 0.408122 0.274557 C\n0.442077 0.283757 0.796546 C\n0.104734 0.650270 0.539717 O\n0.134591 0.627405 0.155302 O\n0.572463 0.750831 0.098841 O\n0.542652 0.773711 0.483304 O\n",
"nsites": 33,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 1.8099372707542996,
"density_atomic": 0.1120677906209014,
"volume": 294.4646255375117,
"volume_molar": 5.373658860083595,
"formula_full": "Sn1 H18 C10 O4",
"formula_reduced": "SnH18(C5O2)2",
"formula_anonymous": "AB4C10D18",
"energy_above_hull": 4.552645627272727,
"spacegroup": 2
},
{
"id": "jvasp-99351",
"created_at": "2022-09-04T14:36:37.529918Z",
"updated_at": "2022-09-04T14:36:37.529949Z",
"structure_string": "Yb4 Mg4 Fe3 H22\n1.0\n6.576510 -0.000000 0.000000\n0.000000 6.576510 0.000000\n-0.000000 -0.000000 6.576510\nYb Mg Fe H\n4 4 3 22\ndirect\n0.290453 0.290453 0.709547 Yb\n0.290453 0.709547 0.290453 Yb\n0.709547 0.290453 0.290453 Yb\n0.709547 0.709547 0.709547 Yb\n0.786611 0.786611 0.213389 Mg\n0.786611 0.213389 0.786611 Mg\n0.213389 0.786611 0.786611 Mg\n0.213389 0.213389 0.213389 Mg\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.240853 0.500000 0.000000 H\n0.626311 0.373689 0.626311 H\n0.626311 0.626311 0.373689 H\n0.260360 0.000000 0.000000 H\n0.000000 0.260360 0.000000 H\n0.000000 0.000000 0.739640 H\n0.739640 0.000000 0.000000 H\n0.000000 0.739640 0.000000 H\n0.000000 0.000000 0.260360 H\n0.240853 0.000000 0.500000 H\n0.759147 0.500000 0.000000 H\n0.000000 0.240853 0.500000 H\n0.500000 0.240853 0.000000 H\n0.000000 0.500000 0.759147 H\n0.373689 0.626311 0.626311 H\n0.500000 0.000000 0.240853 H\n0.000000 0.759147 0.500000 H\n0.759147 0.000000 0.500000 H\n0.500000 0.759147 0.000000 H\n0.000000 0.500000 0.240853 H\n0.500000 0.000000 0.759147 H\n0.373689 0.373689 0.373689 H\n",
"nsites": 33,
"nelements": 4,
"elements": [
"Yb",
"Mg",
"Fe",
"H"
],
"chemical_system": "Fe-H-Mg-Yb",
"density": 5.715906498659808,
"density_atomic": 0.11601856390603356,
"volume": 284.4372390846654,
"volume_molar": 5.190669973192814,
"formula_full": "Yb4 Mg4 Fe3 H22",
"formula_reduced": "Yb4Mg4Fe3H22",
"formula_anonymous": "A3B4C4D22",
"energy_above_hull": 2.3444153181818184,
"spacegroup": 215
},
{
"id": "jvasp-22864",
"created_at": "2022-09-04T14:37:34.872068Z",
"updated_at": "2022-09-04T14:37:34.872088Z",
"structure_string": "K2 Li14 Zr3 O14\n1.0\n6.518632 0.000000 -3.218633\n-1.825616 6.610184 -3.697383\n0.005120 0.008388 8.220713\nK Li Zr O\n2 14 3 14\ndirect\n0.764093 0.500000 0.000000 K\n0.235906 0.500000 -0.000000 K\n0.408002 0.976126 0.270507 Li\n0.862505 0.294381 0.270507 Li\n0.591997 0.705618 0.729493 Li\n0.770775 0.129173 0.541551 Li\n0.229224 0.870826 0.458449 Li\n0.137494 0.705618 0.729493 Li\n0.500000 0.154272 0.000000 Li\n0.499999 0.845728 -0.000000 Li\n0.137495 0.023874 0.729493 Li\n0.408002 0.294381 0.270507 Li\n0.591997 0.023874 0.729493 Li\n0.862504 0.976126 0.270507 Li\n0.770775 0.412378 0.541551 Li\n0.229224 0.587622 0.458449 Li\n0.000000 0.000000 0.000000 Zr\n0.727528 0.727528 0.455057 Zr\n0.272471 0.272471 0.544943 Zr\n0.371492 0.161866 0.742984 O\n0.032430 0.745655 0.491310 O\n0.541120 0.254344 0.508690 O\n0.967569 0.254344 0.508690 O\n0.458879 0.745655 0.491310 O\n0.711530 -0.000000 0.000000 O\n0.288470 -0.000000 0.000000 O\n0.872229 0.691022 0.744461 O\n0.127770 0.308978 0.255539 O\n0.127769 0.946562 0.255539 O\n0.628507 0.418881 0.257016 O\n0.872230 0.053438 0.744461 O\n0.371492 0.581118 0.742984 O\n0.628507 0.838134 0.257016 O\n",
"nsites": 33,
"nelements": 4,
"elements": [
"K",
"Li",
"Zr",
"O"
],
"chemical_system": "K-Li-O-Zr",
"density": 3.1518468590233786,
"density_atomic": 0.09306637904931835,
"volume": 354.5856230477434,
"volume_molar": 6.470801616563064,
"formula_full": "K2 Li14 Zr3 O14",
"formula_reduced": "K2Li14Zr3O14",
"formula_anonymous": "A2B3C14D14",
"energy_above_hull": 2.0571617727272726,
"spacegroup": 71
},
{
"id": "jvasp-97362",
"created_at": "2022-09-04T14:35:43.883453Z",
"updated_at": "2022-09-04T14:35:43.883476Z",
"structure_string": "Ge1 Bi12 O20\n1.0\n8.328630 -0.000000 -2.944615\n-4.164315 7.212805 -2.944615\n0.000000 0.000000 8.833846\nGe Bi O\n1 12 20\ndirect\n0.000000 0.000000 0.000000 Ge\n0.333655 0.189830 0.495220 Bi\n0.143825 0.305390 0.810170 Bi\n0.161565 0.856176 0.666345 Bi\n0.504780 0.694610 0.838434 Bi\n0.810170 0.143825 0.305390 Bi\n0.856175 0.666346 0.161565 Bi\n0.495220 0.333655 0.189830 Bi\n0.189830 0.495220 0.333655 Bi\n0.694610 0.838435 0.504779 Bi\n0.305390 0.810170 0.143824 Bi\n0.666345 0.161565 0.856175 Bi\n0.838435 0.504780 0.694610 Bi\n0.875414 0.254858 0.643079 O\n0.379443 0.124586 0.767664 O\n0.611779 0.232336 0.356921 O\n0.203013 0.000000 -0.000000 O\n0.356921 0.611779 0.232335 O\n0.745142 0.620557 0.388221 O\n0.388221 0.745143 0.620557 O\n0.620557 0.388221 0.745142 O\n0.232336 0.356921 0.611779 O\n0.767664 0.379443 0.124585 O\n0.254857 0.643079 0.875414 O\n0.392250 0.392250 0.392249 O\n-0.000000 0.607751 -0.000000 O\n0.000000 0.000000 0.607751 O\n0.607750 0.000000 -0.000000 O\n0.796987 0.796988 0.796987 O\n-0.000000 0.203013 -0.000000 O\n0.000000 0.000000 0.203013 O\n0.124585 0.767665 0.379443 O\n0.643079 0.875415 0.254857 O\n",
"nsites": 33,
"nelements": 3,
"elements": [
"Ge",
"Bi",
"O"
],
"chemical_system": "Bi-Ge-O",
"density": 9.075662386803602,
"density_atomic": 0.06218510269647141,
"volume": 530.6737235938107,
"volume_molar": 9.684217760955335,
"formula_full": "Ge1 Bi12 O20",
"formula_reduced": "Ge(Bi3O5)4",
"formula_anonymous": "AB12C20",
"energy_above_hull": 2.2963562893939398,
"spacegroup": 197
},
{
"id": "jvasp-101879",
"created_at": "2022-09-04T14:36:53.308870Z",
"updated_at": "2022-09-04T14:36:53.308900Z",
"structure_string": "Sn1 H18 C10 O4\n1.0\n4.547978 0.042242 0.090996\n1.422530 6.638557 2.311628\n-0.212367 -0.254103 9.434039\nSn H C O\n1 18 10 4\ndirect\n0.275397 0.305223 0.334398 Sn\n0.504514 0.640392 0.884861 H\n0.235874 0.958072 0.296732 H\n-0.012047 0.685090 0.318260 H\n0.865340 0.611584 0.164036 H\n0.220123 0.682690 0.163707 H\n0.383337 0.831869 0.716658 H\n0.507464 0.915569 0.448897 H\n0.973583 0.508550 0.780593 H\n0.107522 0.963939 0.476040 H\n0.419083 0.598232 0.560932 H\n0.502765 0.395961 0.720334 H\n0.920685 0.019816 0.063566 H\n0.823921 0.225190 0.905345 H\n0.360916 0.104113 0.849065 H\n0.454501 0.902011 0.012919 H\n0.955700 0.784137 0.908606 H\n0.831595 0.976337 0.740852 H\n0.890218 0.709578 0.615652 H\n0.751811 0.876223 0.838430 C\n0.553263 0.001780 0.922848 C\n0.726585 0.119502 0.990791 C\n0.609759 0.496916 0.635986 C\n0.785674 0.612287 0.704613 C\n0.531836 0.234240 0.081020 C\n0.797485 0.375842 0.548424 C\n0.281194 0.994226 0.398252 C\n0.058409 0.611721 0.233381 C\n0.586333 0.739681 0.787622 C\n0.082845 0.345257 0.560143 O\n0.660674 0.250866 0.199271 O\n0.253138 0.301046 0.050523 O\n0.674428 0.307846 0.456596 O\n",
"nsites": 33,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 1.8569357421261194,
"density_atomic": 0.11497784443011684,
"volume": 287.0118166118281,
"volume_molar": 5.237653210362834,
"formula_full": "Sn1 H18 C10 O4",
"formula_reduced": "SnH18(C5O2)2",
"formula_anonymous": "AB4C10D18",
"energy_above_hull": 4.552888657575758,
"spacegroup": 1
},
{
"id": "jvasp-103883",
"created_at": "2022-09-04T14:36:55.635981Z",
"updated_at": "2022-09-04T14:36:55.636004Z",
"structure_string": "Ti1 H18 C10 O4\n1.0\n4.853474 0.105298 0.984339\n0.899336 6.539061 1.421801\n-0.221833 -0.099609 8.851490\nTi H C O\n1 18 10 4\ndirect\n0.252022 0.259730 0.813203 Ti\n0.429357 0.623734 0.126061 H\n0.481583 0.389806 0.253497 H\n0.945114 0.635280 0.087996 H\n0.000754 0.399109 0.210457 H\n0.870743 0.579803 0.675575 H\n0.004979 0.657836 0.360491 H\n0.696383 0.557971 0.434050 H\n0.223581 0.564966 0.577494 H\n0.129581 0.662718 0.758426 H\n0.423501 0.859063 0.280471 H\n-0.019469 0.920204 0.920738 H\n0.507418 0.881756 0.550871 H\n0.439639 0.117678 0.429004 H\n0.205189 0.955016 0.050068 H\n0.953155 0.133569 0.368623 H\n0.024250 0.897301 0.491158 H\n0.353117 0.853983 0.874061 H\n0.731329 0.958176 0.200652 H\n0.585030 0.486609 0.153369 C\n0.848584 0.540187 0.190904 C\n0.800583 0.650215 0.331191 C\n0.631260 0.866924 0.305449 C\n0.594576 0.977998 0.445092 C\n0.636486 0.376074 0.015577 C\n0.844906 0.141034 0.610032 C\n0.090084 0.552870 0.691267 C\n0.181602 0.959788 0.927889 C\n0.864605 0.033815 0.472163 C\n0.877574 0.328120 0.949266 O\n0.066012 0.169952 0.646009 O\n0.602278 0.198079 0.685502 O\n0.418065 0.336635 0.972123 O\n",
"nsites": 33,
"nelements": 4,
"elements": [
"Ti",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Ti",
"density": 1.4723824716468543,
"density_atomic": 0.11698941688630596,
"volume": 282.076797015498,
"volume_molar": 5.147594475022053,
"formula_full": "Ti1 H18 C10 O4",
"formula_reduced": "TiH18(C5O2)2",
"formula_anonymous": "AB4C10D18",
"energy_above_hull": 4.684402191919192,
"spacegroup": 1
}
]
}