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=4639",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=4637",
"results": [
{
"id": "jvasp-48326",
"created_at": "2022-09-04T14:36:05.985542Z",
"updated_at": "2022-09-04T14:36:05.985556Z",
"structure_string": "Na2 Li2 Mn2 P2 C2 O14\n1.0\n0.000000 5.233555 -0.113416\n6.281826 0.000000 0.000000\n0.000000 -0.186901 -8.770643\nNa Li Mn P C O\n2 2 2 2 2 14\ndirect\n0.787718 0.529261 0.236142 Na\n0.212283 0.029260 0.763858 Na\n0.768496 0.066821 0.187565 Li\n0.231505 0.566821 0.812435 Li\n0.227160 0.226494 0.353746 Mn\n0.772841 0.726494 0.646254 Mn\n0.304012 0.728472 0.436207 P\n0.695989 0.228471 0.563793 P\n0.289401 0.270700 0.062819 C\n0.710601 0.770700 0.937181 C\n0.500408 0.764574 0.860998 O\n0.775265 0.423795 0.659822 O\n0.782550 0.034132 0.658882 O\n0.184198 0.727275 0.595997 O\n0.396814 0.223696 0.547669 O\n0.603187 0.723697 0.452331 O\n0.080547 0.236981 0.146584 O\n0.217451 0.534132 0.341118 O\n0.224736 0.923795 0.340178 O\n0.499593 0.264574 0.139002 O\n0.919454 0.736982 0.853417 O\n0.730048 0.807791 0.077911 O\n0.815803 0.227275 0.404003 O\n0.269954 0.307791 0.922089 O\n",
"nsites": 24,
"nelements": 6,
"elements": [
"Na",
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.761229480638506,
"density_atomic": 0.08319488004732326,
"volume": 288.4792908692004,
"volume_molar": 7.238595399830449,
"formula_full": "Na2 Li2 Mn2 P2 C2 O14",
"formula_reduced": "NaLiMnPCO7",
"formula_anonymous": "ABCDEF7",
"energy_above_hull": 2.892166353448276,
"spacegroup": 4
},
{
"id": "jvasp-62434",
"created_at": "2022-09-04T14:35:58.577582Z",
"updated_at": "2022-09-04T14:35:58.577607Z",
"structure_string": "Na4 Be1 Al1 Si4 Cl1 O12\n1.0\n-4.335809 4.335810 4.469804\n4.335809 -4.335810 4.469804\n4.335810 4.335809 -4.469804\nNa Be Al Si Cl O\n4 1 1 4 1 12\ndirect\n0.985175 0.028024 0.650905 Na\n0.377119 0.334270 0.349095 Na\n0.971975 0.622880 0.957151 Na\n0.665729 0.014824 0.042849 Na\n0.750000 0.250000 0.500000 Be\n0.250000 0.750000 0.500000 Al\n0.749684 0.509564 0.267965 Si\n0.241600 0.481719 0.732035 Si\n0.518281 0.250316 0.759881 Si\n0.490435 0.758400 0.240119 Si\n0.000000 0.000000 0.000000 Cl\n0.410749 0.693816 0.982198 O\n0.571448 0.589250 0.283066 O\n0.690295 0.996920 0.389168 O\n0.698872 0.309704 0.306625 O\n0.003080 0.392247 0.693375 O\n0.990084 0.717170 0.433443 O\n0.283726 0.556641 0.566557 O\n0.282829 0.716273 0.272914 O\n0.443359 0.009916 0.727086 O\n0.306184 0.288382 0.716934 O\n0.711617 0.428551 0.017802 O\n0.607753 0.301127 0.610832 O\n",
"nsites": 23,
"nelements": 6,
"elements": [
"Na",
"Be",
"Al",
"Si",
"Cl",
"O"
],
"chemical_system": "Al-Be-Cl-Na-O-Si",
"density": 2.3108156886877125,
"density_atomic": 0.06842880876018505,
"volume": 336.11574447548224,
"volume_molar": 8.800592716884985,
"formula_full": "Na4 Be1 Al1 Si4 Cl1 O12",
"formula_reduced": "Na4BeAlSi4ClO12",
"formula_anonymous": "ABCD4E4F12",
"energy_above_hull": 2.2185215377173915,
"spacegroup": 82
},
{
"id": "jvasp-61264",
"created_at": "2022-09-04T14:35:57.621291Z",
"updated_at": "2022-09-04T14:35:57.621324Z",
"structure_string": "Na2 Fe2 B2 P4 H6 O20\n1.0\n4.015786 5.205651 -0.022737\n-4.015786 5.205651 -0.022737\n0.000000 4.089496 8.005314\nNa Fe B P H O\n2 2 2 4 6 20\ndirect\n0.860885 0.139116 0.749999 Na\n0.139116 0.860884 0.249999 Na\n-0.000000 0.500000 -0.000000 Fe\n0.500001 0.000000 0.500000 Fe\n0.535862 0.464139 0.249999 B\n0.464139 0.535862 0.749999 B\n0.713253 0.840974 0.181826 P\n0.159026 0.286748 0.318173 P\n0.840974 0.713253 0.681825 P\n0.286748 0.159027 0.818173 P\n0.000000 0.500001 0.500000 H\n0.304530 0.687107 0.564853 H\n0.687106 0.304530 0.064854 H\n0.695470 0.312894 0.435145 H\n0.312894 0.695471 0.935145 H\n0.500000 -0.000000 -0.000000 H\n0.429400 0.702082 0.595702 O\n0.297918 0.570601 0.904296 O\n0.570600 0.297918 0.404297 O\n0.702082 0.429400 0.095702 O\n0.269772 0.079041 0.682568 O\n0.920960 0.730229 0.817430 O\n0.730229 0.920960 0.317430 O\n0.079040 0.269771 0.182569 O\n0.057423 0.280668 0.886147 O\n0.280668 0.057423 0.386147 O\n0.942577 0.719332 0.113852 O\n0.637390 0.038464 0.044204 O\n0.961536 0.362611 0.455795 O\n0.038464 0.637390 0.544204 O\n0.465005 0.315971 0.744214 O\n0.684030 0.534996 0.755784 O\n0.534996 0.684030 0.255784 O\n0.315971 0.465005 0.244215 O\n0.719333 0.942578 0.613852 O\n0.362611 0.961537 0.955795 O\n",
"nsites": 36,
"nelements": 6,
"elements": [
"Na",
"Fe",
"B",
"P",
"H",
"O"
],
"chemical_system": "B-Fe-H-Na-O-P",
"density": 3.114807650840284,
"density_atomic": 0.10731997946382703,
"volume": 335.44546113274333,
"volume_molar": 5.611388289568026,
"formula_full": "Na2 Fe2 B2 P4 H6 O20",
"formula_reduced": "NaFeBP2H3O10",
"formula_anonymous": "ABCD2E3F10",
"energy_above_hull": 3.0355923935185185,
"spacegroup": 15
},
{
"id": "jvasp-98445",
"created_at": "2022-09-04T14:35:50.214715Z",
"updated_at": "2022-09-04T14:35:50.214747Z",
"structure_string": "K2 Al4 Ni2 P6 H8 O28\n1.0\n6.207349 5.041633 -2.032304\n-6.207349 5.041633 2.032304\n0.014260 0.000000 8.741808\nK Al Ni P H O\n2 4 2 6 8 28\ndirect\n0.863199 0.863199 0.250000 K\n0.136800 0.136800 0.750000 K\n0.404990 0.747780 0.927710 Al\n0.747780 0.404990 0.572290 Al\n0.595010 0.252220 0.072290 Al\n0.252220 0.595010 0.427710 Al\n0.777658 0.777658 0.750000 Ni\n0.222341 0.222341 0.250000 Ni\n0.498268 0.498268 0.250000 P\n0.501731 0.501731 0.750000 P\n0.916096 0.332964 0.324547 P\n0.667035 0.083903 0.824547 P\n0.083903 0.667035 0.675453 P\n0.332964 0.916096 0.175453 P\n0.024596 0.726794 0.999111 H\n0.975403 0.273205 0.000889 H\n0.273205 0.975403 0.499111 H\n0.726794 0.024596 0.500889 H\n0.131813 0.423362 0.953470 H\n0.423362 0.131813 0.546530 H\n0.868186 0.576637 0.046530 H\n0.576637 0.868186 0.453470 H\n0.961029 0.494333 0.656627 O\n0.494333 0.961029 0.843374 O\n0.181318 0.730773 0.533955 O\n0.730773 0.181318 0.966046 O\n0.818682 0.269227 0.466046 O\n0.269227 0.818682 0.033955 O\n0.380391 0.788740 0.336307 O\n0.788740 0.380391 0.163693 O\n0.619608 0.211260 0.663694 O\n0.211260 0.619608 0.836307 O\n0.651196 0.528909 0.388369 O\n0.528909 0.651196 0.111632 O\n0.348804 0.471090 0.611632 O\n-0.001288 0.189611 0.317789 O\n0.325630 0.473872 0.303112 O\n0.473872 0.325630 0.196888 O\n0.674369 0.526128 0.696888 O\n0.526128 0.674369 0.803113 O\n0.101136 0.303551 0.010877 O\n0.303551 0.101136 0.489123 O\n0.898863 0.696448 0.989123 O\n0.696448 0.898863 0.510877 O\n0.189611 -0.001288 0.182211 O\n0.505667 0.038971 0.156627 O\n0.810388 0.001287 0.817790 O\n0.001287 0.810388 0.682211 O\n0.471090 0.348804 0.888369 O\n0.038971 0.505667 0.343374 O\n",
"nsites": 50,
"nelements": 6,
"elements": [
"K",
"Al",
"Ni",
"P",
"H",
"O"
],
"chemical_system": "Al-H-K-Ni-O-P",
"density": 2.8676334049708743,
"density_atomic": 0.09133336731127084,
"volume": 547.44505181328,
"volume_molar": 6.593582320770131,
"formula_full": "K2 Al4 Ni2 P6 H8 O28",
"formula_reduced": "KAl2NiP3(H2O7)2",
"formula_anonymous": "ABC2D3E4F14",
"energy_above_hull": 2.79925846,
"spacegroup": 15
},
{
"id": "jvasp-60915",
"created_at": "2022-09-04T14:35:57.492777Z",
"updated_at": "2022-09-04T14:35:57.492793Z",
"structure_string": "Ca4 Mg1 B4 H6 C2 O18\n1.0\n4.304910 8.728761 -0.016549\n-4.304910 8.728761 -0.016549\n0.000000 0.899591 4.396837\nCa Mg B H C O\n4 1 4 6 2 18\ndirect\n0.075858 0.610900 0.145538 Ca\n0.389100 0.924142 0.854462 Ca\n0.924142 0.389100 0.854462 Ca\n0.610900 0.075858 0.145538 Ca\n0.000000 0.000000 0.000000 Mg\n0.228260 0.771740 0.500000 B\n0.771740 0.228260 0.500000 B\n0.901144 0.901144 0.614286 B\n0.098856 0.098856 0.385714 B\n0.218387 0.218387 0.318633 H\n0.781613 0.781613 0.681367 H\n0.593853 0.389748 0.211220 H\n0.610252 0.406147 0.788781 H\n0.406147 0.610252 0.788781 H\n0.389748 0.593853 0.211220 H\n0.309545 0.309545 0.746030 C\n0.690455 0.690455 0.253971 C\n0.179788 0.179788 0.186611 O\n0.820212 0.820212 0.813390 O\n0.418795 0.154909 0.649318 O\n0.845091 0.581204 0.350682 O\n0.581204 0.845091 0.350682 O\n0.154909 0.418795 0.649318 O\n0.628315 0.280548 0.326627 O\n0.719452 0.371685 0.673373 O\n0.897827 0.897827 0.303974 O\n0.280548 0.628315 0.326627 O\n0.805816 0.080806 0.718310 O\n0.919194 0.194183 0.281690 O\n0.194183 0.919194 0.281690 O\n0.080806 0.805816 0.718310 O\n0.102173 0.102173 0.696026 O\n0.647933 0.647933 0.048305 O\n0.371685 0.719452 0.673373 O\n0.352067 0.352067 0.951695 O\n",
"nsites": 35,
"nelements": 6,
"elements": [
"Ca",
"Mg",
"B",
"H",
"C",
"O"
],
"chemical_system": "B-C-Ca-H-Mg-O",
"density": 2.7423445957087433,
"density_atomic": 0.10587966840519628,
"volume": 330.56393665738284,
"volume_molar": 5.687721590658524,
"formula_full": "Ca4 Mg1 B4 H6 C2 O18",
"formula_reduced": "Ca4MgB4H6(CO9)2",
"formula_anonymous": "AB2C4D4E6F18",
"energy_above_hull": 3.119450116095238,
"spacegroup": 12
},
{
"id": "jvasp-117317",
"created_at": "2022-09-04T14:38:26.194921Z",
"updated_at": "2022-09-04T14:38:26.194950Z",
"structure_string": "Na3 Li3 Fe2 P2 C2 O14\n1.0\n4.974316 0.014603 0.256521\n0.080674 6.622617 0.168338\n0.011212 0.088031 8.704847\nNa Li Fe P C O\n3 3 2 2 2 14\ndirect\n0.739532 0.991626 0.743948 Na\n0.742977 0.492538 0.753983 Na\n0.261116 0.507491 0.245393 Na\n0.215210 0.754720 0.891899 Li\n0.263701 0.021621 0.272211 Li\n0.765232 0.224791 0.104984 Li\n0.228769 0.248750 0.640134 Fe\n0.789352 0.763145 0.352543 Fe\n0.728622 0.251976 0.405273 P\n0.290286 0.751033 0.587749 P\n0.275068 0.236226 0.956248 C\n0.699167 0.759873 0.050797 C\n0.538284 0.791748 0.171833 O\n0.856835 0.080439 0.306219 O\n0.784382 0.448680 0.307333 O\n0.417975 0.219312 0.425929 O\n0.173718 0.762567 0.426441 O\n0.842911 0.255128 0.566640 O\n0.596356 0.738438 0.919130 O\n0.201705 0.559663 0.684761 O\n0.195092 0.928667 0.690562 O\n0.446372 0.235180 0.837125 O\n0.020231 0.243492 0.933829 O\n0.956311 0.750280 0.066104 O\n0.603108 0.751646 0.566004 O\n0.367686 0.230966 0.092934 O\n",
"nsites": 26,
"nelements": 6,
"elements": [
"Na",
"Li",
"Fe",
"P",
"C",
"O"
],
"chemical_system": "C-Fe-Li-Na-O-P",
"density": 2.962615444500976,
"density_atomic": 0.09069898708509598,
"volume": 286.6625178030508,
"volume_molar": 6.639700126253761,
"formula_full": "Na3 Li3 Fe2 P2 C2 O14",
"formula_reduced": "Na3Li3Fe2P2(CO7)2",
"formula_anonymous": "A2B2C2D3E3F14",
"energy_above_hull": 2.8074183846153846,
"spacegroup": 1
},
{
"id": "jvasp-119746",
"created_at": "2022-09-04T14:38:36.997307Z",
"updated_at": "2022-09-04T14:38:36.997325Z",
"structure_string": "Na3 Li3 Mn2 P2 C2 O14\n1.0\n8.820120 0.352744 0.153901\n0.778939 6.603961 -0.168261\n-0.014373 -0.052038 5.124411\nNa Li Mn P C O\n3 3 2 2 2 14\ndirect\n0.090452 0.161957 0.691662 Na\n0.230715 0.545562 0.255413 Na\n0.759267 0.468004 0.740347 Na\n0.307125 0.088973 0.197089 Li\n0.703160 0.918681 0.796369 Li\n0.899342 0.851630 0.315473 Li\n0.361730 0.767539 0.787668 Mn\n0.650626 0.227267 0.212692 Mn\n0.578623 0.744895 0.292261 P\n0.429748 0.255123 0.709415 P\n0.025242 0.766304 0.781796 C\n0.964535 0.226334 0.216942 C\n0.876706 0.180152 0.410061 O\n0.679360 0.900659 0.190459 O\n0.654086 0.533437 0.188428 O\n0.575275 0.752326 0.597417 O\n0.599396 0.206270 0.796136 O\n0.409751 0.799036 0.200520 O\n0.104790 0.250249 0.262917 O\n0.349756 0.462719 0.822973 O\n0.337500 0.091676 0.811574 O\n0.138665 0.793979 0.623635 O\n0.044226 0.762759 0.029572 O\n0.906398 0.241137 -0.010372 O\n0.429266 0.253684 0.404208 O\n0.894264 0.749633 0.675340 O\n",
"nsites": 26,
"nelements": 6,
"elements": [
"Na",
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.849266973774149,
"density_atomic": 0.08753935212203293,
"volume": 297.00928062336,
"volume_molar": 6.879352672846978,
"formula_full": "Na3 Li3 Mn2 P2 C2 O14",
"formula_reduced": "Na3Li3Mn2P2(CO7)2",
"formula_anonymous": "A2B2C2D3E3F14",
"energy_above_hull": 2.883021980106101,
"spacegroup": 1
},
{
"id": "jvasp-40245",
"created_at": "2022-09-04T14:38:31.303275Z",
"updated_at": "2022-09-04T14:38:31.303292Z",
"structure_string": "Rb2 Zn2 H4 Se4 Br2 O12\n1.0\n0.000000 6.510348 0.011376\n6.132864 0.000000 0.000000\n0.000000 -2.430922 -10.564017\nRb Zn H Se Br O\n2 2 4 4 2 12\ndirect\n0.000000 0.833424 0.250000 Rb\n0.000000 0.166575 0.750000 Rb\n0.500000 0.451325 0.250000 Zn\n0.500000 0.548675 0.750000 Zn\n0.071595 0.344074 0.091298 H\n0.928406 0.344074 0.408701 H\n0.071595 0.655925 0.591298 H\n0.928406 0.655925 0.908702 H\n0.705357 0.311747 0.013766 Se\n0.294643 0.311747 0.486234 Se\n0.705358 0.688252 0.513766 Se\n0.294643 0.688252 0.986234 Se\n0.500000 0.951541 0.750000 Br\n0.500000 0.048458 0.250000 Br\n0.968009 0.217109 0.078936 O\n0.683972 0.520509 0.115086 O\n0.242698 0.547554 0.114957 O\n0.757302 0.547554 0.385043 O\n0.316029 0.520509 0.384914 O\n0.031991 0.217109 0.421064 O\n0.968009 0.782891 0.578936 O\n0.683972 0.479491 0.615086 O\n0.242698 0.452445 0.614957 O\n0.757303 0.452445 0.885043 O\n0.316029 0.479491 0.884914 O\n0.031992 0.782891 0.921064 O\n",
"nsites": 26,
"nelements": 6,
"elements": [
"Rb",
"Zn",
"H",
"Se",
"Br",
"O"
],
"chemical_system": "Br-H-O-Rb-Se-Zn",
"density": 3.8338060984010807,
"density_atomic": 0.06166679550265065,
"volume": 421.62074075800535,
"volume_molar": 9.765613262231449,
"formula_full": "Rb2 Zn2 H4 Se4 Br2 O12",
"formula_reduced": "RbZnH2Se2BrO6",
"formula_anonymous": "ABCD2E2F6",
"energy_above_hull": 1.7815255567948711,
"spacegroup": 13
},
{
"id": "jvasp-112554",
"created_at": "2022-09-04T14:38:42.173594Z",
"updated_at": "2022-09-04T14:38:42.173604Z",
"structure_string": "Na2 Ca2 Be4 B4 O12 F2\n1.0\n4.645623 0.006918 0.006006\n-2.326351 4.021189 0.006006\n0.011625 0.020190 14.149572\nNa Ca Be B O F\n2 2 4 4 12 2\ndirect\n0.110851 0.119690 0.362721 Na\n0.119689 0.110851 0.862721 Na\n0.114577 0.096296 0.611792 Ca\n0.096296 0.114578 0.111793 Ca\n0.740945 0.421396 0.474075 Be\n0.421395 0.740946 0.974075 Be\n0.792115 0.428663 0.249035 Be\n0.428662 0.792116 0.749035 Be\n0.771765 0.408249 0.000555 B\n0.408248 0.771765 0.500555 B\n0.475678 0.780417 0.222804 B\n0.780416 0.475679 0.722804 B\n0.747942 0.755679 0.731701 O\n0.089778 0.525450 0.695494 O\n0.525450 0.089779 0.195494 O\n0.505359 0.167635 0.735857 O\n0.167634 0.505360 0.235857 O\n0.755678 0.747944 0.231701 O\n0.444103 0.495356 0.495572 O\n0.099977 0.742468 0.485732 O\n0.079870 0.671758 0.025186 O\n0.671757 0.079871 0.525186 O\n0.495354 0.444104 0.995572 O\n0.742466 0.099978 0.985732 O\n0.698875 0.311705 0.361076 F\n0.311704 0.698876 0.861076 F\n",
"nsites": 26,
"nelements": 6,
"elements": [
"Na",
"Ca",
"Be",
"B",
"O",
"F"
],
"chemical_system": "B-Be-Ca-F-Na-O",
"density": 2.7330115023065726,
"density_atomic": 0.09827871243413863,
"volume": 264.5537304675605,
"volume_molar": 6.127614628687501,
"formula_full": "Na2 Ca2 Be4 B4 O12 F2",
"formula_reduced": "NaCaBe2B2O6F",
"formula_anonymous": "ABCD2E2F6",
"energy_above_hull": 2.210092159166667,
"spacegroup": 9
},
{
"id": "jvasp-98057",
"created_at": "2022-09-04T14:36:12.470525Z",
"updated_at": "2022-09-04T14:36:12.470545Z",
"structure_string": "Ba1 Y6 Si3 B6 O24 F2\n1.0\n10.683737 0.000000 0.000000\n-5.341869 9.252388 -0.000000\n-0.000000 -0.000000 4.700316\nBa Y Si B O F\n1 6 3 6 24 2\ndirect\n0.000000 0.000000 0.014924 Ba\n0.569585 0.784793 0.953354 Y\n0.215207 0.784792 0.953354 Y\n0.215209 0.430416 0.953354 Y\n0.784018 0.215985 -0.000005 Y\n0.784016 0.568033 -0.000005 Y\n0.431967 0.215982 -0.000005 Y\n0.492570 0.507431 0.402536 Si\n0.014862 0.507431 0.402536 Si\n0.492569 0.985139 0.402536 Si\n0.999751 0.749754 0.482298 B\n0.250246 0.000246 0.482298 B\n0.750003 0.000250 0.482298 B\n0.999754 0.250000 0.482298 B\n0.750000 0.749754 0.482298 B\n0.250247 0.249997 0.482298 B\n0.002082 0.263203 0.179576 O\n0.855352 0.144650 0.596990 O\n0.569690 0.430310 0.232865 O\n0.148689 0.574345 0.181847 O\n0.736797 0.738879 0.179576 O\n0.261121 0.997918 0.179576 O\n0.109577 0.219151 0.604238 O\n0.855350 0.710702 0.596990 O\n0.607717 0.634596 0.625987 O\n0.261121 0.263200 0.179576 O\n0.365404 0.973121 0.625987 O\n0.780849 0.890426 0.604238 O\n0.109574 0.890424 0.604238 O\n0.607720 0.973125 0.625987 O\n0.002079 0.738879 0.179576 O\n0.425655 0.574344 0.181847 O\n0.860621 0.430311 0.232865 O\n0.365405 0.392280 0.625987 O\n0.736800 0.997922 0.179576 O\n0.569690 0.139379 0.232865 O\n0.289298 0.144648 0.596990 O\n0.026875 0.634595 0.625987 O\n0.425656 0.851311 0.181847 O\n0.026879 0.392283 0.625987 O\n0.333333 0.666667 0.741971 F\n0.666667 0.333333 0.793380 F\n",
"nsites": 42,
"nelements": 6,
"elements": [
"Ba",
"Y",
"Si",
"B",
"O",
"F"
],
"chemical_system": "B-Ba-F-O-Si-Y",
"density": 4.4383352638923865,
"density_atomic": 0.09039516646874288,
"volume": 464.6266126908776,
"volume_molar": 6.662016339205875,
"formula_full": "Ba1 Y6 Si3 B6 O24 F2",
"formula_reduced": "BaY6Si3B6(O12F)2",
"formula_anonymous": "AB2C3D6E6F24",
"energy_above_hull": 3.355484155595238,
"spacegroup": 156
},
{
"id": "jvasp-62112",
"created_at": "2022-09-04T14:36:17.828182Z",
"updated_at": "2022-09-04T14:36:17.828208Z",
"structure_string": "Na4 Be1 Al1 Si4 Cl1 O12\n1.0\n-4.335747 4.335747 4.469991\n4.335747 -4.335747 4.469991\n4.335747 4.335747 -4.469991\nNa Be Al Si Cl O\n4 1 1 4 1 12\ndirect\n0.971952 0.014792 0.349069 Na\n0.665724 0.622883 0.650932 Na\n0.377117 0.028048 0.042840 Na\n0.985208 0.334276 0.957161 Na\n0.750000 0.250000 0.500000 Be\n0.250000 0.750000 0.500000 Al\n0.490436 0.250312 0.732035 Si\n0.518277 0.758403 0.267966 Si\n0.749689 0.481723 0.240125 Si\n0.241597 0.509564 0.759876 Si\n0.000000 0.000000 0.000000 Cl\n0.306182 0.589261 0.017795 O\n0.410739 0.428534 0.716922 O\n0.003079 0.309719 0.610821 O\n0.690281 0.301101 0.693360 O\n0.607741 0.996921 0.306641 O\n0.282831 0.009918 0.566573 O\n0.443346 0.716259 0.433428 O\n0.283742 0.717170 0.727088 O\n0.990082 0.556654 0.272913 O\n0.711613 0.693818 0.283079 O\n0.571467 0.288388 0.982206 O\n0.698899 0.392259 0.389180 O\n",
"nsites": 23,
"nelements": 6,
"elements": [
"Na",
"Be",
"Al",
"Si",
"Cl",
"O"
],
"chemical_system": "Al-Be-Cl-Na-O-Si",
"density": 2.3107856355153613,
"density_atomic": 0.06842791881349067,
"volume": 336.12011586512716,
"volume_molar": 8.800707173944804,
"formula_full": "Na4 Be1 Al1 Si4 Cl1 O12",
"formula_reduced": "Na4BeAlSi4ClO12",
"formula_anonymous": "ABCD4E4F12",
"energy_above_hull": 2.2185211029347824,
"spacegroup": 82
},
{
"id": "jvasp-61109",
"created_at": "2022-09-04T14:36:22.327729Z",
"updated_at": "2022-09-04T14:36:22.327759Z",
"structure_string": "Na4 Be1 Al1 Si4 Cl1 O12\n1.0\n-4.335948 4.335948 4.469422\n4.335948 -4.335948 4.469422\n4.335948 4.335948 -4.469422\nNa Be Al Si Cl O\n4 1 1 4 1 12\ndirect\n0.665778 0.622904 0.650903 Na\n0.972001 0.014875 0.349098 Na\n0.985125 0.334222 0.957127 Na\n0.377096 0.027999 0.042874 Na\n0.750000 0.250000 0.500000 Be\n0.250000 0.750000 0.500000 Al\n0.518282 0.758391 0.267962 Si\n0.490429 0.250319 0.732038 Si\n0.241610 0.509572 0.759891 Si\n0.749681 0.481718 0.240110 Si\n0.000000 0.000000 0.000000 Cl\n0.571441 0.288382 0.982199 O\n0.711618 0.693817 0.283058 O\n0.698865 0.392234 0.389157 O\n0.607765 0.996923 0.306631 O\n0.690292 0.301135 0.693370 O\n0.443359 0.716274 0.433451 O\n0.282825 0.009910 0.566550 O\n0.990090 0.556640 0.272915 O\n0.283726 0.717175 0.727085 O\n0.410759 0.428560 0.716942 O\n0.306183 0.589241 0.017801 O\n0.003077 0.309708 0.610843 O\n",
"nsites": 23,
"nelements": 6,
"elements": [
"Na",
"Be",
"Al",
"Si",
"Cl",
"O"
],
"chemical_system": "Al-Be-Cl-Na-O-Si",
"density": 2.3108655576962835,
"density_atomic": 0.06843028550143587,
"volume": 336.1084910206518,
"volume_molar": 8.800402798076354,
"formula_full": "Na4 Be1 Al1 Si4 Cl1 O12",
"formula_reduced": "Na4BeAlSi4ClO12",
"formula_anonymous": "ABCD4E4F12",
"energy_above_hull": 2.2185215377173915,
"spacegroup": 82
}
]
}