{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=structure_string&page=108","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=structure_string&page=106","results":[{"id":"jvasp-29483","created_at":"2022-09-04T14:38:15.016412Z","updated_at":"2022-09-04T14:38:15.016430Z","structure_string":"Al4 H12 O12\n1.0\n4.750592 0.613161 0.000000\n0.628651 5.049414 0.000000\n0.000000 0.000000 8.706833\nAl H O\n4 12 12\ndirect\n0.029016 0.954581 0.666005 Al\n0.970983 0.545418 0.166005 Al\n0.970983 0.045418 0.333995 Al\n0.029016 0.454582 0.833995 Al\n0.214207 0.624737 0.458535 H\n0.394635 0.726858 0.883422 H\n0.605364 0.773141 0.383422 H\n0.388724 0.271527 0.318996 H\n0.611275 0.728472 0.681004 H\n0.388724 0.771527 0.181004 H\n0.214207 0.124738 0.041465 H\n0.785793 0.375262 0.541464 H\n0.605364 0.273141 0.116577 H\n0.785793 0.875262 0.958535 H\n0.394635 0.226859 0.616577 H\n0.611275 0.228472 0.818996 H\n0.261753 0.697946 0.802576 O\n0.821800 0.177137 0.830641 O\n0.773760 0.688029 0.981544 O\n0.178199 0.322863 0.330641 O\n0.738247 0.802053 0.302576 O\n0.738247 0.302053 0.197424 O\n0.226240 0.311970 0.018455 O\n0.226240 0.811969 0.481545 O\n0.178199 0.822862 0.169359 O\n0.261753 0.197946 0.697424 O\n0.821800 0.677137 0.669359 O\n0.773760 0.188030 0.518455 O\n","nsites":28,"nelements":3,"elements":["Al","H","O"],"chemical_system":"Al-H-O","density":2.5212159206521307,"density_atomic":0.1362525275358009,"volume":205.5007749683241,"volume_molar":4.4198378326726155,"formula_full":"Al4 H12 O12","formula_reduced":"Al(HO)3","formula_anonymous":"AB3C3","energy_above_hull":2.448797614285714,"spacegroup":14},{"id":"jvasp-29414","created_at":"2022-09-04T14:37:56.689127Z","updated_at":"2022-09-04T14:37:56.689158Z","structure_string":"Al4 H12 O12\n1.0\n4.975421 -0.133538 0.616251\n0.625833 5.209154 0.822584\n-0.363454 0.021729 7.907272\nAl H O\n4 12 12\ndirect\n0.026087 0.653493 0.330364 Al\n0.524870 0.827349 0.162930 Al\n0.973913 0.346506 0.669635 Al\n0.475130 0.172650 0.837069 Al\n0.791832 0.426806 0.135914 H\n0.569987 0.256950 0.528149 H\n0.787772 0.111555 0.300583 H\n0.784432 0.828709 0.588772 H\n0.430013 0.743049 0.471850 H\n0.208168 0.573192 0.864085 H\n0.212228 0.888444 0.699416 H\n0.215568 0.171290 0.411227 H\n0.132688 0.116077 0.085936 H\n0.300265 0.453115 0.113606 H\n0.867313 0.883922 0.914064 H\n0.699735 0.546884 0.886394 H\n0.325677 0.141716 0.070572 O\n0.174550 0.031859 0.764948 O\n0.825450 0.968140 0.235051 O\n0.757395 0.362740 0.879481 O\n0.320252 0.835432 0.379717 O\n0.742731 0.515404 0.235893 O\n0.833714 0.662084 0.547213 O\n0.166286 0.337915 0.452786 O\n0.679748 0.164567 0.620282 O\n0.674323 0.858283 0.929428 O\n0.242605 0.637259 0.120518 O\n0.257270 0.484595 0.764106 O\n","nsites":28,"nelements":3,"elements":["Al","H","O"],"chemical_system":"Al-H-O","density":2.506278994572175,"density_atomic":0.13544530038982802,"volume":206.7255188582594,"volume_molar":4.446179190173116,"formula_full":"Al4 H12 O12","formula_reduced":"Al(HO)3","formula_anonymous":"AB3C3","energy_above_hull":2.449216185714286,"spacegroup":2},{"id":"jvasp-30387","created_at":"2022-09-04T14:37:56.204651Z","updated_at":"2022-09-04T14:37:56.204676Z","structure_string":"Al4 H12 O12\n1.0\n5.046184 0.000000 0.653385\n0.000000 8.706653 0.000000\n0.588161 0.000000 4.752855\nAl H O\n4 12 12\ndirect\n0.045451 0.333994 0.970986 Al\n0.454548 0.833994 0.029015 Al\n0.545451 0.166006 0.970985 Al\n0.954547 0.666006 0.029014 Al\n0.771638 0.181060 0.388796 H\n0.875225 0.958500 0.785919 H\n0.726924 0.883434 0.394675 H\n0.624773 0.458501 0.214080 H\n0.728360 0.681060 0.611204 H\n0.773075 0.383434 0.605325 H\n0.375226 0.541499 0.785920 H\n0.273075 0.116566 0.605326 H\n0.226924 0.616565 0.394675 H\n0.124774 0.041499 0.214081 H\n0.228361 0.818939 0.611204 H\n0.271639 0.318939 0.388797 H\n0.697989 0.802575 0.261779 O\n0.802010 0.302575 0.738221 O\n0.677048 0.669349 0.821746 O\n0.688016 0.981535 0.773784 O\n0.311983 0.018465 0.226216 O\n0.302010 0.197425 0.738222 O\n0.197989 0.697424 0.261779 O\n0.177048 0.830650 0.821747 O\n0.188017 0.518465 0.773784 O\n0.822951 0.169349 0.178253 O\n0.322951 0.330650 0.178254 O\n0.811982 0.481535 0.226216 O\n","nsites":28,"nelements":3,"elements":["Al","H","O"],"chemical_system":"Al-H-O","density":2.521562504170556,"density_atomic":0.13627125773657459,"volume":205.47252931448455,"volume_molar":4.4192303351609015,"formula_full":"Al4 H12 O12","formula_reduced":"Al(HO)3","formula_anonymous":"AB3C3","energy_above_hull":2.448803328571429,"spacegroup":14},{"id":"jvasp-37958","created_at":"2022-09-04T14:37:59.827069Z","updated_at":"2022-09-04T14:37:59.827093Z","structure_string":"Al4 H12 O12\n1.0\n5.083121 0.000000 0.000000\n0.000000 5.135268 0.000000\n0.000000 0.000000 7.267490\nAl H O\n4 12 12\ndirect\n0.247884 -0.000207 0.499558 Al\n0.252116 0.000207 0.999558 Al\n0.747884 0.500207 0.500442 Al\n0.752116 0.499793 0.000442 Al\n0.965335 0.705541 0.747101 H\n0.918739 0.832687 0.202816 H\n0.715123 0.039654 0.979109 H\n0.581261 0.167314 0.702816 H\n0.534665 0.294460 0.247101 H\n0.784877 0.960347 0.479109 H\n0.418739 0.667314 0.797184 H\n0.284877 0.539654 0.520891 H\n0.215123 0.460346 0.020891 H\n0.081261 0.332687 0.297184 H\n0.034665 0.205540 0.752899 H\n0.465335 0.794460 0.252899 H\n0.868297 0.538473 0.749960 O\n0.631702 0.461528 0.249960 O\n0.585483 0.177404 0.941091 O\n0.572781 0.180938 0.565010 O\n0.427219 0.680938 0.934990 O\n0.131702 0.038472 0.750040 O\n0.368298 0.961528 0.250040 O\n0.085483 0.322596 0.058909 O\n0.072781 0.319062 0.434990 O\n0.914517 0.822596 0.441091 O\n0.414517 0.677405 0.558910 O\n0.927218 0.819062 0.065010 O\n","nsites":28,"nelements":3,"elements":["Al","H","O"],"chemical_system":"Al-H-O","density":2.731149669931186,"density_atomic":0.1475978485454111,"volume":189.70466220166685,"volume_molar":4.080100637881032,"formula_full":"Al4 H12 O12","formula_reduced":"Al(HO)3","formula_anonymous":"AB3C3","energy_above_hull":2.4468447571428573,"spacegroup":19},{"id":"jvasp-96394","created_at":"2022-09-04T14:36:11.510705Z","updated_at":"2022-09-04T14:36:11.510733Z","structure_string":"Al4 H16 N4 F16\n1.0\n5.076894 0.000000 0.000000\n0.000000 5.076894 0.000000\n0.000000 0.000000 12.793718\nAl H N F\n4 16 4 16\ndirect\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.168195 0.001121 0.703485 H\n0.501121 0.668194 0.203485 H\n0.331805 0.501121 0.703485 H\n0.001121 0.831804 0.796515 H\n0.168195 0.001121 0.296515 H\n0.501121 0.668194 0.796515 H\n0.331805 0.501121 0.296515 H\n0.001121 0.831804 0.203485 H\n0.831804 0.998878 0.296515 H\n0.498879 0.331805 0.796515 H\n0.668194 0.498879 0.296515 H\n0.998878 0.168195 0.203485 H\n0.831804 0.998878 0.703485 H\n0.498879 0.331805 0.203485 H\n0.668194 0.498879 0.703485 H\n0.998878 0.168195 0.796515 H\n0.000000 0.000000 0.250000 N\n0.000000 0.000000 0.750000 N\n0.500000 0.500000 0.250000 N\n0.500000 0.500000 0.750000 N\n0.803118 0.803477 0.500000 F\n0.803477 0.196881 0.000000 F\n0.696521 0.696880 0.000000 F\n0.303119 0.696521 0.500000 F\n0.196522 0.803118 0.000000 F\n0.196881 0.196522 0.500000 F\n0.000000 0.500000 0.859475 F\n0.500000 0.000000 0.140525 F\n0.500000 0.000000 0.859475 F\n0.000000 0.500000 0.359475 F\n0.000000 0.500000 0.140525 F\n0.500000 0.000000 0.640525 F\n0.000000 0.500000 0.640525 F\n0.696880 0.303478 0.500000 F\n0.500000 0.000000 0.359475 F\n0.303478 0.303119 0.000000 F\n","nsites":40,"nelements":4,"elements":["Al","H","N","F"],"chemical_system":"Al-F-H-N","density":2.437532107503851,"density_atomic":0.12130173865285082,"volume":329.75619677203963,"volume_molar":4.964595583608702,"formula_full":"Al4 H16 N4 F16","formula_reduced":"AlH4NF4","formula_anonymous":"ABC4D4","energy_above_hull":1.7742317180000002,"spacegroup":135},{"id":"jvasp-54676","created_at":"2022-09-04T14:37:52.290730Z","updated_at":"2022-09-04T14:37:52.290749Z","structure_string":"Al4 H4 O8\n1.0\n2.869446 0.000000 0.000000\n-0.000000 4.415954 0.000000\n0.000000 0.000000 9.484903\nAl H O\n4 4 8\ndirect\n0.250000 0.451065 0.356786 Al\n0.250000 0.048934 0.856786 Al\n0.750001 0.548934 0.643214 Al\n0.750001 0.951065 0.143214 Al\n0.250000 0.086699 0.590857 H\n0.250000 0.413300 0.090858 H\n0.750001 0.913300 0.409142 H\n0.750001 0.586699 0.909142 H\n0.250000 0.795158 0.697488 O\n0.250000 0.704840 0.197488 O\n0.750001 0.204841 0.302512 O\n0.750001 0.295159 0.802512 O\n0.250000 0.303115 0.554578 O\n0.250000 0.196884 0.054578 O\n0.750001 0.696884 0.445422 O\n0.750001 0.803115 0.945422 O\n","nsites":16,"nelements":3,"elements":["Al","H","O"],"chemical_system":"Al-H-O","density":3.3152783517693885,"density_atomic":0.13312649314684988,"volume":120.18644540084621,"volume_molar":4.5236230727996904,"formula_full":"Al4 H4 O8","formula_reduced":"AlHO2","formula_anonymous":"ABC2","energy_above_hull":1.64489245,"spacegroup":62},{"id":"jvasp-54695","created_at":"2022-09-04T14:37:54.987906Z","updated_at":"2022-09-04T14:37:54.987940Z","structure_string":"Al4 H4 O8\n1.0\n2.874277 -0.000000 0.000000\n0.000000 4.920564 0.000000\n0.000000 0.000000 8.470826\nAl H O\n4 4 8\ndirect\n0.250000 0.387499 0.647164 Al\n0.250000 0.112500 0.147164 Al\n0.750001 0.612500 0.352837 Al\n0.750001 0.887499 0.852837 Al\n0.750001 0.366669 0.923083 H\n0.750001 0.133331 0.423082 H\n0.250000 0.633330 0.076918 H\n0.250000 0.866669 0.576918 H\n0.750001 0.209471 0.000826 O\n0.750001 0.290529 0.500826 O\n0.250000 0.790528 0.999175 O\n0.250000 0.709470 0.499174 O\n0.750001 0.958543 0.260656 O\n0.750001 0.541455 0.760656 O\n0.250000 0.041456 0.739345 O\n0.250000 0.458544 0.239345 O\n","nsites":16,"nelements":3,"elements":["Al","H","O"],"chemical_system":"Al-H-O","density":3.3258773007168703,"density_atomic":0.13355209870834603,"volume":119.80343367677918,"volume_molar":4.509207132080554,"formula_full":"Al4 H4 O8","formula_reduced":"AlHO2","formula_anonymous":"ABC2","energy_above_hull":1.6474824499999998,"spacegroup":62},{"id":"jvasp-29798","created_at":"2022-09-04T14:37:20.152611Z","updated_at":"2022-09-04T14:37:20.152641Z","structure_string":"Al4 H4 O8\n1.0\n3.703961 0.000000 0.000000\n0.000000 12.371594 0.000000\n0.000000 0.000000 2.887760\nAl H O\n4 4 8\ndirect\n0.750509 0.568167 0.270515 Al\n0.749490 0.068167 0.270515 Al\n0.249490 0.431833 0.770515 Al\n0.250509 0.931832 0.770515 Al\n0.568834 0.224478 0.770514 H\n0.931166 0.724477 0.770514 H\n0.431166 0.775522 0.270515 H\n0.068834 0.275523 0.270515 H\n0.750973 0.960436 0.770514 O\n0.749027 0.460436 0.770514 O\n0.249027 0.039564 0.270514 O\n0.250973 0.539564 0.270514 O\n0.757552 0.168872 0.770517 O\n0.742448 0.668872 0.770517 O\n0.242448 0.831127 0.270517 O\n0.257552 0.331127 0.270517 O\n","nsites":16,"nelements":3,"elements":["Al","H","O"],"chemical_system":"Al-H-O","density":3.0110802314392737,"density_atomic":0.12091128082243129,"volume":132.32843032650848,"volume_molar":4.980627712350543,"formula_full":"Al4 H4 O8","formula_reduced":"AlHO2","formula_anonymous":"ABC2","energy_above_hull":1.6534999499999998,"spacegroup":62},{"id":"jvasp-50439","created_at":"2022-09-04T14:37:08.460116Z","updated_at":"2022-09-04T14:37:08.460143Z","structure_string":"Al4 Hg2 O8\n1.0\n0.000000 4.270181 4.270181\n-4.270289 4.270181 0.000000\n-0.000000 -4.270181 4.270181\nAl Hg O\n4 2 8\ndirect\n0.375000 0.750000 0.375000 Al\n0.875000 0.750000 0.375000 Al\n0.375000 0.250000 0.875000 Al\n0.375000 0.250000 0.375000 Al\n0.750000 0.500000 0.750000 Hg\n0.000000 0.000000 0.000000 Hg\n0.602491 0.795018 0.602497 O\n0.602491 0.795018 0.192521 O\n0.147509 0.704982 0.147503 O\n0.147509 0.704982 0.557480 O\n0.557479 0.295018 0.147509 O\n0.147503 0.295018 0.147509 O\n0.602497 0.204982 0.602491 O\n0.192520 0.204982 0.602491 O\n","nsites":14,"nelements":3,"elements":["Al","Hg","O"],"chemical_system":"Al-Hg-O","density":6.79325308574738,"density_atomic":0.08989762216825972,"volume":155.7327064090356,"volume_molar":6.69888770664976,"formula_full":"Al4 Hg2 O8","formula_reduced":"Al2HgO4","formula_anonymous":"AB2C4","energy_above_hull":1.5123020285714286,"spacegroup":227},{"id":"jvasp-116919","created_at":"2022-09-04T14:38:47.070806Z","updated_at":"2022-09-04T14:38:47.070845Z","structure_string":"Al4 Hg2 S8\n1.0\n6.361134 -0.000000 3.672602\n2.120378 5.997335 3.672602\n0.000000 -0.000000 7.345205\nAl Hg S\n4 2 8\ndirect\n0.125000 0.625000 0.624999 Al\n0.625000 0.125000 0.625000 Al\n0.625000 0.625000 0.125000 Al\n0.625000 0.625000 0.624999 Al\n0.250000 0.250000 0.250000 Hg\n0.000000 0.000000 0.000000 Hg\n0.828640 0.390453 0.390453 S\n0.390454 0.828640 0.390453 S\n0.390453 0.390453 0.828640 S\n0.390453 0.390453 0.390453 S\n0.421360 0.859546 0.859546 S\n0.859546 0.421359 0.859546 S\n0.859547 0.859546 0.421359 S\n0.859547 0.859546 0.859546 S\n","nsites":14,"nelements":3,"elements":["Al","Hg","S"],"chemical_system":"Al-Hg-S","density":4.537003188565374,"density_atomic":0.04996101603314323,"volume":280.2184805591755,"volume_molar":12.053679524861987,"formula_full":"Al4 Hg2 S8","formula_reduced":"Al2HgS4","formula_anonymous":"AB2C4","energy_above_hull":1.3824271714285716,"spacegroup":227},{"id":"jvasp-61120","created_at":"2022-09-04T14:35:44.167435Z","updated_at":"2022-09-04T14:35:44.167445Z","structure_string":"Al4 Hg2 Se8\n1.0\n0.000000 5.483360 5.483360\n5.483360 -0.000000 5.483360\n5.483360 5.483360 0.000000\nAl Hg Se\n4 2 8\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.500000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.875000 0.875000 0.375000 Hg\n0.125000 0.125000 0.625000 Hg\n0.735527 0.735527 0.793418 Se\n0.293418 0.735527 0.235527 Se\n0.735527 0.735527 0.235527 Se\n0.735527 0.293418 0.235527 Se\n0.706582 0.264473 0.764473 Se\n0.264473 0.264473 0.206582 Se\n0.264473 0.264473 0.764473 Se\n0.264473 0.706582 0.764473 Se\n","nsites":14,"nelements":3,"elements":["Al","Hg","Se"],"chemical_system":"Al-Hg-Se","density":5.744907818120834,"density_atomic":0.042457826804306105,"volume":329.73896814191414,"volume_molar":14.183817715769734,"formula_full":"Al4 Hg2 Se8","formula_reduced":"Al2HgSe4","formula_anonymous":"AB2C4","energy_above_hull":1.0897776666666663,"spacegroup":227},{"id":"jvasp-4219","created_at":"2022-09-04T14:37:42.398033Z","updated_at":"2022-09-04T14:37:42.398050Z","structure_string":"Al4 I12\n1.0\n0.000000 9.610161 -0.083708\n6.036528 0.000000 0.000000\n0.000000 -3.759411 -11.304149\nAl I\n4 12\ndirect\n0.196664 0.001485 0.048784 Al\n0.803336 0.501485 0.451216 Al\n0.803336 0.998515 0.951216 Al\n0.196664 0.498515 0.548784 Al\n0.331992 0.748953 0.211820 I\n0.668008 0.248952 0.288180 I\n0.668008 0.251048 0.788180 I\n0.331992 0.751048 0.711820 I\n0.330212 0.255362 0.951962 I\n0.669788 0.755362 0.548038 I\n0.669788 0.744638 0.048038 I\n0.330212 0.244638 0.451962 I\n0.000689 0.768649 0.881097 I\n0.999311 0.268648 0.618903 I\n0.999311 0.231352 0.118903 I\n0.000689 0.731352 0.381097 I\n","nsites":16,"nelements":2,"elements":["Al","I"],"chemical_system":"Al-I","density":4.11748872185753,"density_atomic":0.02432808819874354,"volume":657.676010925772,"volume_molar":24.75385945168935,"formula_full":"Al4 I12","formula_reduced":"AlI3","formula_anonymous":"AB3","energy_above_hull":0.01174290625,"spacegroup":14}]}