{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-nsites&page=97","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-nsites&page=95","results":[{"id":"jvasp-97832","created_at":"2022-09-04T14:35:46.778753Z","updated_at":"2022-09-04T14:35:46.778785Z","structure_string":"Ba12 B8 N16\n1.0\n4.262086 0.000000 0.000000\n0.000000 11.104663 0.000000\n0.000000 0.000000 14.832829\nBa B N\n12 8 16\ndirect\n0.903291 0.311996 0.386111 Ba\n0.096710 0.811996 0.113889 Ba\n0.596711 0.688004 0.886111 Ba\n0.773053 0.154932 0.092802 Ba\n0.273053 0.345068 0.907198 Ba\n0.226948 0.654932 0.407198 Ba\n0.726948 0.845068 0.592802 Ba\n0.651375 0.962143 0.329335 Ba\n0.151374 0.537857 0.670665 Ba\n0.348626 0.462143 0.170665 Ba\n0.848627 0.037857 0.829336 Ba\n0.403290 0.188004 0.613889 Ba\n0.596026 0.499886 0.520964 B\n0.096026 0.000114 0.479036 B\n0.903975 0.500113 0.020964 B\n0.403975 -0.000114 0.979037 B\n0.232853 0.858641 0.738528 B\n0.732854 0.641359 0.261472 B\n0.767148 0.358641 0.761472 B\n0.267147 0.141359 0.238528 B\n0.429802 0.399859 0.504674 N\n0.348819 0.966978 0.715270 N\n0.848820 0.533022 0.284730 N\n0.929803 0.100141 0.495326 N\n0.651182 0.466978 0.784730 N\n0.410139 0.245738 0.258362 N\n0.089861 0.754262 0.758363 N\n0.589862 0.745738 0.241638 N\n0.215527 0.889145 0.463235 N\n0.715527 0.610855 0.536765 N\n0.151181 0.033022 0.215270 N\n0.784474 0.389145 0.036765 N\n0.570199 0.899859 0.995326 N\n0.070198 0.600141 0.004674 N\n0.910140 0.254262 0.741638 N\n0.284474 0.110855 0.963235 N\n","nsites":36,"nelements":3,"elements":["Ba","B","N"],"chemical_system":"B-Ba-N","density":4.632605825830688,"density_atomic":0.05128034270085383,"volume":702.0233895472892,"volume_molar":11.74356574629469,"formula_full":"Ba12 B8 N16","formula_reduced":"Ba3(BN2)2","formula_anonymous":"A2B3C4","energy_above_hull":3.656415119629629,"spacegroup":19},{"id":"jvasp-30328","created_at":"2022-09-04T14:38:00.266756Z","updated_at":"2022-09-04T14:38:00.266780Z","structure_string":"Mg4 I8 O24\n1.0\n5.706918 0.000000 0.000000\n0.000000 16.983640 0.000000\n0.000000 0.000000 5.324297\nMg I O\n4 8 24\ndirect\n0.170740 0.091459 0.695517 Mg\n0.329261 0.908541 0.195516 Mg\n0.670740 0.408541 0.304484 Mg\n0.829261 0.591459 0.804484 Mg\n0.766135 0.707383 0.252281 I\n0.733866 0.292617 0.752281 I\n0.647917 0.076272 0.026140 I\n0.852083 0.923728 0.526140 I\n0.266135 0.792617 0.747720 I\n0.233865 0.207383 0.247719 I\n0.147917 0.423728 0.973861 I\n0.352083 0.576272 0.473860 I\n0.511867 0.167764 0.890635 O\n0.967103 0.699827 0.982179 O\n0.890246 0.482230 0.077866 O\n0.891118 0.380682 0.621875 O\n0.829741 0.049863 0.744739 O\n0.670260 0.950137 0.244739 O\n0.608882 0.619318 0.121875 O\n0.609754 0.517770 0.577867 O\n0.532898 0.300173 0.482179 O\n0.541295 0.344518 0.978073 O\n0.488133 0.667764 0.609366 O\n0.170259 0.549863 0.755262 O\n0.467102 0.800173 0.017822 O\n0.390246 0.017770 0.922134 O\n0.391118 0.119319 0.378126 O\n0.329741 0.450137 0.255262 O\n0.958706 0.655482 0.478073 O\n0.108882 0.880682 0.878126 O\n0.109754 0.982230 0.422134 O\n0.032898 0.199827 0.517822 O\n0.041295 0.155482 0.021928 O\n0.011867 0.332236 0.109366 O\n0.458706 0.844518 0.521928 O\n-0.011867 0.832236 0.390635 O\n","nsites":36,"nelements":3,"elements":["Mg","I","O"],"chemical_system":"I-Mg-O","density":4.815197660238049,"density_atomic":0.06976021645506372,"volume":516.0534446332964,"volume_molar":8.63262912017938,"formula_full":"Mg4 I8 O24","formula_reduced":"Mg(IO3)2","formula_anonymous":"AB2C6","energy_above_hull":1.593069177777778,"spacegroup":19},{"id":"jvasp-98452","created_at":"2022-09-04T14:35:58.244533Z","updated_at":"2022-09-04T14:35:58.244560Z","structure_string":"K4 Ca6 Si6 O20\n1.0\n5.614562 -0.008099 0.914377\n0.078281 7.381389 0.485562\n-0.020387 -0.005585 11.835851\nK Ca Si O\n4 6 6 20\ndirect\n0.721145 0.961127 0.627268 K\n0.278854 0.038874 0.372732 K\n0.171914 0.951215 0.857857 K\n0.828085 0.048786 0.142143 K\n0.212345 0.244554 0.627955 Ca\n0.787654 0.755447 0.372045 Ca\n0.183447 0.479181 0.862465 Ca\n0.816552 0.520820 0.137535 Ca\n0.736134 0.498560 0.651503 Ca\n0.263865 0.501441 0.348497 Ca\n0.644456 0.746624 0.908842 Si\n0.355543 0.253376 0.091158 Si\n0.335101 0.804894 0.146661 Si\n0.664899 0.195106 0.853339 Si\n0.755438 0.269150 0.418196 Si\n0.244561 0.730851 0.581804 Si\n0.451522 0.344421 0.194586 O\n0.548477 0.655580 0.805414 O\n0.673059 0.970124 0.874804 O\n0.326940 0.029877 0.125196 O\n0.419045 0.726867 0.018292 O\n0.580954 0.273133 0.981708 O\n0.527571 0.745320 0.231180 O\n0.472428 0.254681 0.768820 O\n0.072277 0.735934 0.200615 O\n0.787880 0.065551 0.369125 O\n0.094851 0.718276 0.472933 O\n0.905148 0.281725 0.527067 O\n0.867855 0.432080 0.323376 O\n0.132144 0.567920 0.676624 O\n0.529790 0.691094 0.536124 O\n0.470209 0.308906 0.463876 O\n0.112848 0.327186 0.049410 O\n0.212119 0.934449 0.630875 O\n0.927722 0.264066 0.799385 O\n0.887151 0.672815 0.950590 O\n","nsites":36,"nelements":4,"elements":["K","Ca","Si","O"],"chemical_system":"Ca-K-O-Si","density":2.9962287186547356,"density_atomic":0.07336811980098495,"volume":490.6763332309997,"volume_molar":8.208116517549294,"formula_full":"K4 Ca6 Si6 O20","formula_reduced":"K2Ca3Si3O10","formula_anonymous":"A2B3C3D10","energy_above_hull":1.9498615588888888,"spacegroup":2},{"id":"jvasp-97365","created_at":"2022-09-04T14:35:50.947178Z","updated_at":"2022-09-04T14:35:50.947213Z","structure_string":"Ba4 P8 O24\n1.0\n4.525297 0.000000 0.000000\n0.000000 8.341554 0.000000\n0.000000 0.000000 13.408909\nBa P O\n4 8 24\ndirect\n0.738010 0.805324 0.871878 Ba\n0.261991 0.694676 0.371878 Ba\n0.238010 0.194676 0.628122 Ba\n0.761991 0.305324 0.128122 Ba\n0.291857 0.780219 0.644271 P\n0.791858 0.219780 0.855729 P\n0.208143 0.280220 0.355729 P\n0.708143 0.719780 0.144271 P\n0.788220 0.571503 0.595991 P\n0.711781 0.071503 0.404009 P\n0.211781 0.928496 0.095991 P\n0.288219 0.428497 0.904009 P\n0.378628 0.109266 0.365260 O\n0.727174 0.631257 0.047398 O\n0.227174 0.368742 0.452602 O\n0.772827 0.131258 0.952602 O\n0.272827 0.868742 0.547398 O\n0.878629 0.890734 0.134740 O\n0.780577 0.908157 0.365401 O\n0.380916 0.792297 0.164987 O\n0.280576 0.091842 0.134599 O\n0.719425 0.408158 0.634599 O\n0.219424 0.591842 0.865401 O\n0.751684 0.614902 0.488652 O\n0.251684 0.385097 0.011348 O\n0.748317 0.114903 0.511348 O\n0.121372 0.609265 0.634740 O\n0.248317 0.885097 0.988652 O\n0.287083 0.371944 0.263159 O\n0.712918 0.128055 0.763159 O\n0.212917 0.871944 0.736841 O\n0.619084 0.707702 0.664987 O\n0.119084 0.292298 0.835013 O\n0.880917 0.207702 0.335013 O\n0.787084 0.628055 0.236841 O\n0.621372 0.390734 0.865260 O\n","nsites":36,"nelements":3,"elements":["Ba","P","O"],"chemical_system":"Ba-O-P","density":3.8747374044522562,"density_atomic":0.07112380851675432,"volume":506.1596215213875,"volume_molar":8.467123577305893,"formula_full":"Ba4 P8 O24","formula_reduced":"Ba(PO3)2","formula_anonymous":"AB2C6","energy_above_hull":2.3579886633333333,"spacegroup":19},{"id":"jvasp-104133","created_at":"2022-09-04T14:37:02.192136Z","updated_at":"2022-09-04T14:37:02.192163Z","structure_string":"H12 C18 S4 O2\n1.0\n4.556067 0.012041 0.372616\n0.798842 7.763498 1.313354\n0.016269 0.141981 11.413045\nH C S O\n12 18 4 2\ndirect\n0.585830 0.047370 0.939973 H\n0.861249 0.930443 0.372976 H\n0.332493 0.995193 0.639146 H\n0.831976 0.995567 0.138952 H\n0.814610 0.537123 0.259319 H\n0.315183 0.537176 0.759568 H\n0.361864 0.930625 0.873209 H\n0.983928 0.236054 0.955781 H\n0.418864 0.800962 0.185455 H\n0.919493 0.801006 0.685620 H\n0.085029 0.047032 0.439960 H\n0.483911 0.235526 0.455791 H\n0.098995 0.103174 0.247883 C\n0.079326 0.979696 0.363781 C\n0.579951 0.979885 0.863881 C\n0.744029 0.325701 0.577267 C\n0.244107 0.325819 0.077429 C\n0.319396 0.830156 0.369803 C\n0.820003 0.830333 0.869942 C\n0.599406 0.103193 0.747899 C\n0.684932 0.580574 0.438633 C\n0.464498 0.755291 0.278554 C\n0.558666 0.219900 0.545368 C\n0.058608 0.220217 0.045384 C\n0.965109 0.755395 0.778727 C\n0.477789 0.092840 0.643734 C\n0.977448 0.093077 0.143652 C\n0.675115 0.612366 0.317356 C\n0.175690 0.612471 0.817574 C\n0.185445 0.580749 0.938853 C\n0.940378 0.724493 0.007030 S\n0.439844 0.724253 0.506868 S\n0.313830 0.274736 0.227315 S\n0.814014 0.274879 0.727136 S\n0.375548 0.460383 0.006410 O\n0.875227 0.460243 0.506117 O\n","nsites":36,"nelements":4,"elements":["H","C","S","O"],"chemical_system":"C-H-O-S","density":1.6020698040276415,"density_atomic":0.08939055542547177,"volume":402.7271094653231,"volume_molar":6.736887058522511,"formula_full":"H12 C18 S4 O2","formula_reduced":"H6C9S2O","formula_anonymous":"AB2C6D9","energy_above_hull":5.304602972222222,"spacegroup":1},{"id":"jvasp-91311","created_at":"2022-09-04T14:36:17.163545Z","updated_at":"2022-09-04T14:36:17.163573Z","structure_string":"Tb8 Co2 B26\n1.0\n7.331439 0.000000 -0.000000\n0.000000 7.331439 0.000000\n-0.000000 -0.000000 6.982822\nTb Co B\n8 2 26\ndirect\n0.818843 0.316247 0.500000 Tb\n0.816247 0.318843 0.000000 Tb\n0.316247 0.181157 0.500000 Tb\n0.683753 0.818843 0.500000 Tb\n0.181157 0.683753 0.500000 Tb\n0.318843 0.183753 0.000000 Tb\n0.183753 0.681157 0.000000 Tb\n0.681157 0.816247 0.000000 Tb\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.091468 0.408532 0.750000 B\n0.960596 0.830508 0.254508 B\n0.460596 0.669492 0.245492 B\n0.539404 0.330508 0.245492 B\n0.169492 0.960596 0.254508 B\n0.830508 0.039404 0.254508 B\n0.039404 0.169492 0.254508 B\n0.408532 0.908532 0.750000 B\n0.669492 0.539404 0.754508 B\n0.591468 0.091468 0.250000 B\n0.330508 0.460596 0.754508 B\n0.039404 0.169492 0.745491 B\n0.539404 0.330508 0.754508 B\n0.460596 0.669492 0.754508 B\n0.830508 0.039404 0.745491 B\n0.169492 0.960596 0.745491 B\n0.591468 0.091468 0.750000 B\n0.960596 0.830508 0.745491 B\n0.669492 0.539404 0.245492 B\n0.000000 0.000000 0.500000 B\n0.500000 0.500000 0.000000 B\n0.408532 0.908532 0.250000 B\n0.091468 0.408532 0.250000 B\n0.908532 0.591468 0.250000 B\n0.330508 0.460596 0.245492 B\n0.908532 0.591468 0.750000 B\n","nsites":36,"nelements":3,"elements":["Tb","Co","B"],"chemical_system":"B-Co-Tb","density":7.390069212752034,"density_atomic":0.09591644597851863,"volume":375.32666721265434,"volume_molar":6.278527835934114,"formula_full":"Tb8 Co2 B26","formula_reduced":"Tb4CoB13","formula_anonymous":"AB4C13","energy_above_hull":4.667020449074075,"spacegroup":128},{"id":"jvasp-26949","created_at":"2022-09-04T14:38:36.087837Z","updated_at":"2022-09-04T14:38:36.087854Z","structure_string":"Tb8 Ti12 Si16\n1.0\n7.087031 0.000000 0.000000\n-0.000000 7.087031 0.000000\n-0.000000 0.000000 13.019942\nTb Ti Si\n8 12 16\ndirect\n0.339840 0.002125 0.466951 Tb\n0.497875 0.839840 0.716951 Tb\n0.502125 0.160159 0.216951 Tb\n0.839840 0.497875 0.283049 Tb\n0.160159 0.502125 0.783049 Tb\n0.660159 0.997875 0.966951 Tb\n0.002125 0.339840 0.533049 Tb\n0.997875 0.660159 0.033049 Tb\n0.992092 0.846259 0.623628 Ti\n0.007908 0.153741 0.123628 Ti\n0.346259 0.507908 0.373628 Ti\n0.653741 0.492092 0.873628 Ti\n0.507908 0.346259 0.626372 Ti\n0.846259 0.992092 0.376372 Ti\n0.153741 0.007908 0.876372 Ti\n0.672301 0.672301 0.500000 Ti\n0.827699 0.172301 0.750000 Ti\n0.172301 0.827699 0.250000 Ti\n0.327699 0.327699 0.000000 Ti\n0.492092 0.653741 0.126372 Ti\n0.709614 0.045230 0.565112 Si\n0.209614 0.454770 0.184888 Si\n0.790386 0.545230 0.684888 Si\n0.454770 0.209614 0.815112 Si\n0.545230 0.790386 0.315112 Si\n0.290386 0.954770 0.065112 Si\n0.870821 0.798234 0.815851 Si\n0.298234 0.629178 0.565851 Si\n0.798234 0.870821 0.184149 Si\n0.701766 0.370821 0.065851 Si\n0.629178 0.298234 0.434149 Si\n0.370821 0.701766 0.934149 Si\n0.201766 0.129179 0.684149 Si\n0.954770 0.290386 0.934887 Si\n0.129179 0.201766 0.315851 Si\n0.045230 0.709614 0.434888 Si\n","nsites":36,"nelements":3,"elements":["Tb","Ti","Si"],"chemical_system":"Si-Tb-Ti","density":5.8281020798953,"density_atomic":0.05505094599473039,"volume":653.9397161939053,"volume_molar":10.939213942983748,"formula_full":"Tb8 Ti12 Si16","formula_reduced":"Tb2Ti3Si4","formula_anonymous":"A2B3C4","energy_above_hull":3.447899577777777,"spacegroup":92},{"id":"jvasp-96942","created_at":"2022-09-04T14:36:17.738547Z","updated_at":"2022-09-04T14:36:17.738568Z","structure_string":"Si12 O24\n1.0\n8.302035 -0.000000 -2.935213\n-4.151018 7.189773 -2.935213\n-0.000000 -0.000000 8.805639\nSi O\n12 24\ndirect\n0.885292 0.537627 0.616276 Si\n0.652336 0.614708 0.230984 Si\n0.230983 0.652335 0.614708 Si\n0.614708 0.230984 0.652336 Si\n0.962372 0.847664 0.078649 Si\n0.269016 0.883724 0.421352 Si\n0.421352 0.269016 0.883725 Si\n0.078648 0.962372 0.847665 Si\n0.616276 0.885292 0.537628 Si\n0.847665 0.078648 0.962373 Si\n0.537628 0.616276 0.885293 Si\n0.883724 0.421352 0.269017 Si\n0.117281 0.905714 0.012116 O\n0.487884 0.393598 0.105166 O\n0.594286 0.711567 0.106402 O\n0.581681 0.250000 0.831681 O\n0.106401 0.594285 0.711567 O\n0.711567 0.106402 0.594286 O\n0.668319 0.918319 0.750000 O\n0.105165 0.487884 0.393599 O\n0.012116 0.117281 0.905715 O\n0.394835 0.788433 0.382719 O\n0.918319 0.750000 0.668320 O\n0.788433 0.382718 0.394835 O\n0.250000 0.831681 0.581681 O\n0.393599 0.105165 0.487884 O\n0.073013 0.823013 0.250000 O\n0.750000 0.426987 0.676988 O\n0.382719 0.394835 0.788433 O\n0.823013 0.250000 0.073013 O\n0.831681 0.581681 0.250000 O\n0.905715 0.012116 0.117282 O\n0.250000 0.073013 0.823013 O\n0.426987 0.676987 0.750000 O\n0.750000 0.668319 0.918320 O\n0.676987 0.750000 0.426988 O\n","nsites":36,"nelements":2,"elements":["Si","O"],"chemical_system":"O-Si","density":2.2778794347241322,"density_atomic":0.06849232126341742,"volume":525.6063648587135,"volume_molar":8.792431982030807,"formula_full":"Si12 O24","formula_reduced":"SiO2","formula_anonymous":"AB2","energy_above_hull":1.4719252000000005,"spacegroup":199},{"id":"jvasp-97724","created_at":"2022-09-04T14:36:17.635274Z","updated_at":"2022-09-04T14:36:17.635294Z","structure_string":"K2 Eu2 P8 O24\n1.0\n7.251574 0.002924 0.000000\n-0.279939 7.989213 0.000000\n0.000000 0.000000 8.395713\nK Eu P O\n2 2 8 24\ndirect\n0.274581 0.722440 0.552857 K\n0.725418 0.277559 0.052857 K\n0.766424 0.756776 0.747731 Eu\n0.233575 0.243223 0.247732 Eu\n0.003663 0.379872 0.600598 P\n0.996336 0.620127 0.100599 P\n0.897550 0.899404 0.329864 P\n0.622740 0.402160 0.489278 P\n0.377259 0.597839 0.989278 P\n0.439419 0.102496 0.626252 P\n0.560580 0.897503 0.126252 P\n0.102449 0.100595 0.829864 P\n0.457605 0.715910 0.132407 O\n0.040611 0.922223 0.801328 O\n0.959388 0.077776 0.301328 O\n0.682507 0.874938 0.285194 O\n0.921804 0.823401 0.490789 O\n0.422831 0.029888 0.154630 O\n0.176759 0.388772 0.502758 O\n0.969610 0.526913 0.706134 O\n0.542394 0.284089 0.632407 O\n0.030389 0.473086 0.206134 O\n0.078196 0.176598 0.990788 O\n0.317830 0.073583 0.483697 O\n0.682169 0.926417 0.983697 O\n0.613814 0.580044 0.542697 O\n0.823240 0.611227 0.002758 O\n0.386185 0.419955 0.042697 O\n0.833112 0.346054 0.482154 O\n0.990467 0.208687 0.701254 O\n0.463181 0.649982 0.834375 O\n0.536818 0.350017 0.334376 O\n0.317492 0.125061 0.785193 O\n0.577168 0.970111 0.654630 O\n0.166887 0.653945 0.982153 O\n0.009533 0.791312 0.201254 O\n","nsites":36,"nelements":4,"elements":["K","Eu","P","O"],"chemical_system":"Eu-K-O-P","density":3.461340659303689,"density_atomic":0.07401206087923795,"volume":486.4072094781894,"volume_molar":8.136701894879064,"formula_full":"K2 Eu2 P8 O24","formula_reduced":"KEu(PO3)4","formula_anonymous":"ABC4D12","energy_above_hull":2.743180666666667,"spacegroup":4},{"id":"jvasp-61681","created_at":"2022-09-04T14:35:51.202143Z","updated_at":"2022-09-04T14:35:51.202154Z","structure_string":"Sr22 Al8 Sn6\n1.0\n0.000000 8.653872 8.653872\n8.653872 -0.000000 8.653872\n8.653872 8.653872 -0.000000\nSr Al Sn\n22 8 6\ndirect\n0.128749 0.128749 0.128749 Sr\n0.871250 0.871250 0.871250 Sr\n0.386247 0.871250 0.871250 Sr\n0.871250 0.386247 0.871250 Sr\n0.871250 0.871250 0.386247 Sr\n0.166346 0.500000 0.833653 Sr\n0.500000 0.833653 0.500000 Sr\n0.128749 0.128749 0.613753 Sr\n0.500000 0.166346 0.500000 Sr\n0.166346 0.833653 0.500000 Sr\n0.500000 0.500000 0.166346 Sr\n0.500000 0.500000 0.833653 Sr\n0.833653 0.166346 0.500000 Sr\n0.166346 0.500000 0.500000 Sr\n0.500000 0.166346 0.833653 Sr\n0.833653 0.500000 0.166346 Sr\n0.128749 0.613753 0.128749 Sr\n0.833653 0.500000 0.500000 Sr\n0.613753 0.128749 0.128749 Sr\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.500000 0.833653 0.166346 Sr\n0.305945 0.305945 0.305945 Al\n0.305945 0.082165 0.305945 Al\n0.305945 0.305945 0.082165 Al\n0.694055 0.694055 0.694055 Al\n0.917835 0.694055 0.694055 Al\n0.694055 0.917835 0.694055 Al\n0.082165 0.305945 0.305945 Al\n0.694055 0.694055 0.917835 Al\n0.216810 0.783190 0.216810 Sn\n0.783190 0.783190 0.216810 Sn\n0.216810 0.216810 0.783190 Sn\n0.783190 0.216810 0.216810 Sn\n0.216810 0.783190 0.783190 Sn\n0.783190 0.216810 0.783190 Sn\n","nsites":36,"nelements":3,"elements":["Sr","Al","Sn"],"chemical_system":"Al-Sn-Sr","density":3.658543614037405,"density_atomic":0.02777417089577194,"volume":1296.1683045408306,"volume_molar":21.682522162765082,"formula_full":"Sr22 Al8 Sn6","formula_reduced":"Sr11Al4Sn3","formula_anonymous":"A3B4C11","energy_above_hull":0.0990275394444444,"spacegroup":225},{"id":"jvasp-97711","created_at":"2022-09-04T14:35:58.308898Z","updated_at":"2022-09-04T14:35:58.308925Z","structure_string":"Ba4 Tm8 Co4 O20\n1.0\n5.671837 -0.000000 0.000000\n0.000000 6.979486 0.000000\n0.000000 0.000000 12.168339\nBa Tm Co O\n4 8 4 20\ndirect\n0.250000 0.920509 0.900621 Ba\n0.750000 0.079491 0.099379 Ba\n0.750000 0.420509 0.599379 Ba\n0.250000 0.579492 0.400621 Ba\n0.250000 0.121173 0.291604 Tm\n0.750000 0.878827 0.708396 Tm\n0.750000 0.621174 0.208396 Tm\n0.250000 0.378827 0.791604 Tm\n0.250000 0.403571 0.075090 Tm\n0.750000 0.596430 0.924910 Tm\n0.750000 0.903571 0.424910 Tm\n0.250000 0.096429 0.575090 Tm\n0.250000 0.806365 0.153571 Co\n0.750000 0.193636 0.846429 Co\n0.250000 0.693636 0.653571 Co\n0.750000 0.306365 0.346429 Co\n0.500971 0.865066 0.275128 O\n0.750000 0.921558 0.895563 O\n0.250000 0.078443 0.104437 O\n0.999029 0.865066 0.275128 O\n0.499029 0.134935 0.724872 O\n0.000971 0.365066 0.224872 O\n0.500971 0.634935 0.775128 O\n0.000971 0.134935 0.724872 O\n0.999029 0.634935 0.775128 O\n0.497489 0.831639 0.564317 O\n0.497489 0.668362 0.064316 O\n0.997489 0.331639 0.935684 O\n0.502511 0.168361 0.435684 O\n0.002511 0.831639 0.564317 O\n0.502511 0.331639 0.935684 O\n0.002511 0.668362 0.064316 O\n0.750000 0.578443 0.395563 O\n0.997489 0.168361 0.435684 O\n0.499029 0.365066 0.224872 O\n0.250000 0.421558 0.604437 O\n","nsites":36,"nelements":4,"elements":["Ba","Tm","Co","O"],"chemical_system":"Ba-Co-O-Tm","density":8.46813589171176,"density_atomic":0.07473499651872953,"volume":481.7020362204466,"volume_molar":8.057992962494854,"formula_full":"Ba4 Tm8 Co4 O20","formula_reduced":"BaTm2CoO5","formula_anonymous":"ABC2D5","energy_above_hull":2.004526985555556,"spacegroup":62},{"id":"jvasp-98028","created_at":"2022-09-04T14:35:47.290368Z","updated_at":"2022-09-04T14:35:47.290393Z","structure_string":"Na8 Te8 O20\n1.0\n4.748213 0.000000 -0.986876\n-0.428782 9.445539 -2.063023\n0.036742 0.076360 12.092897\nNa Te O\n8 8 20\ndirect\n0.933090 0.590289 0.897025 Na\n0.163965 0.206787 0.341126 Na\n0.822839 0.293214 0.658874 Na\n0.836034 0.793214 0.658874 Na\n0.177161 0.706787 0.341126 Na\n0.066910 0.409711 0.102975 Na\n0.963934 0.090289 0.897025 Na\n0.036066 0.909712 0.102975 Na\n0.776293 0.954672 0.379192 Te\n0.554013 0.175057 0.119973 Te\n0.434039 0.324943 0.880027 Te\n0.445986 0.824943 0.880027 Te\n0.565960 0.675057 0.119973 Te\n0.602899 0.454672 0.379192 Te\n0.223706 0.045328 0.620808 Te\n0.397101 0.545328 0.620808 Te\n0.236979 0.459573 0.296322 O\n0.940657 0.040427 0.703678 O\n0.499596 0.363143 0.495131 O\n0.944995 0.654093 0.105147 O\n0.004465 0.136857 0.504869 O\n0.500404 0.636857 0.504869 O\n0.995535 0.863144 0.495131 O\n0.644968 0.241785 0.292930 O\n0.352037 0.258215 0.707070 O\n0.355032 0.758215 0.707070 O\n0.059343 0.959574 0.296322 O\n0.647962 0.741785 0.292930 O\n0.480432 0.136262 0.906888 O\n0.426455 0.636262 0.906888 O\n0.519568 0.863738 0.093112 O\n0.160152 0.154093 0.105148 O\n0.055005 0.345908 0.894853 O\n0.839847 0.845908 0.894853 O\n0.573545 0.363738 0.093112 O\n0.763020 0.540427 0.703678 O\n","nsites":36,"nelements":3,"elements":["Na","Te","O"],"chemical_system":"Na-O-Te","density":4.658539726520617,"density_atomic":0.06623950119373435,"volume":543.4823534481154,"volume_molar":9.09146453622395,"formula_full":"Na8 Te8 O20","formula_reduced":"Na2Te2O5","formula_anonymous":"A2B2C5","energy_above_hull":1.4726456703703703,"spacegroup":15}]}