{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-volume_molar&page=3504","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-volume_molar&page=3502","results":[{"id":"jvasp-112052","created_at":"2022-09-04T14:38:42.879035Z","updated_at":"2022-09-04T14:38:42.879051Z","structure_string":"H4 C12 S4 O4\n1.0\n3.641928 0.010535 -0.567295\n-1.092657 8.279635 -1.036364\n0.159934 0.148597 10.153734\nH C S O\n4 12 4 4\ndirect\n0.402189 0.541210 0.252872 H\n0.902161 0.041202 0.752892 H\n0.676215 0.740717 0.096667 H\n0.176252 0.240738 0.596718 H\n0.738217 0.702425 0.638882 C\n0.238255 0.202420 0.138900 C\n0.157111 0.212478 0.280108 C\n0.657079 0.712457 0.780090 C\n0.368655 0.345848 0.089348 C\n0.868643 0.845865 0.589350 C\n0.627495 0.530214 0.945651 C\n0.093372 0.112192 0.568491 C\n0.593345 0.612169 0.068453 C\n0.946129 0.005658 0.650546 C\n0.446135 0.505649 0.150525 C\n0.127543 0.030254 0.445685 C\n0.475002 0.326493 0.926487 S\n0.975019 0.826535 0.426494 S\n0.143520 0.024827 0.045061 S\n0.643467 0.524848 0.545018 S\n0.491543 0.811488 0.834114 O\n0.774520 0.581646 0.839223 O\n0.274623 0.081700 0.339273 O\n0.991514 0.311503 0.334109 O\n","nsites":24,"nelements":4,"elements":["H","C","S","O"],"chemical_system":"C-H-O-S","density":1.8371441276956233,"density_atomic":0.07799974152145608,"volume":307.6933273349131,"volume_molar":7.7207188671816755,"formula_full":"H4 C12 S4 O4","formula_reduced":"HC3SO","formula_anonymous":"ABCD3","energy_above_hull":4.602520583333334,"spacegroup":1},{"id":"jvasp-38213","created_at":"2022-09-04T14:37:44.241369Z","updated_at":"2022-09-04T14:37:44.241386Z","structure_string":"K1 Pt1 O3\n1.0\n4.002128 -0.000000 -0.000000\n-0.000000 4.002128 -0.000000\n-0.000000 -0.000000 4.002128\nK Pt O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Pt\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n","nsites":5,"nelements":3,"elements":["K","Pt","O"],"chemical_system":"K-O-Pt","density":7.309760915257828,"density_atomic":0.07800044504996197,"volume":64.1021983502444,"volume_molar":7.720649229812231,"formula_full":"K1 Pt1 O3","formula_reduced":"KPtO3","formula_anonymous":"ABC3","energy_above_hull":1.75710998,"spacegroup":221},{"id":"jvasp-115748","created_at":"2022-09-04T14:38:47.536509Z","updated_at":"2022-09-04T14:38:47.536524Z","structure_string":"Ge1 C2\n1.0\n3.026721 0.000000 -0.270547\n0.000000 3.168583 0.000000\n0.355698 0.000000 3.978509\nGe C\n1 2\ndirect\n0.133334 0.000000 -0.200001 Ge\n-0.366683 0.000000 0.137784 C\n-0.366651 0.000000 0.462217 C\n","nsites":3,"nelements":2,"elements":["Ge","C"],"chemical_system":"C-Ge","density":4.173375491391005,"density_atomic":0.07800214355112624,"volume":38.46048151271202,"volume_molar":7.720481112230985,"formula_full":"Ge1 C2","formula_reduced":"GeC2","formula_anonymous":"AB2","energy_above_hull":4.182391983333332,"spacegroup":47},{"id":"jvasp-45905","created_at":"2022-09-04T14:38:06.117230Z","updated_at":"2022-09-04T14:38:06.117249Z","structure_string":"Mn4 O2 F6\n1.0\n0.000000 3.156730 -0.000436\n4.899812 0.000000 0.000000\n0.000000 -0.001427 -9.945885\nMn O F\n4 2 6\ndirect\n0.755692 0.857707 0.142182 Mn\n0.755691 0.142293 0.642182 Mn\n0.255698 0.294144 0.356712 Mn\n0.255697 0.705856 0.856712 Mn\n0.755697 0.150015 0.267014 O\n0.755696 -0.150015 0.767014 O\n0.755684 0.430938 0.487541 F\n0.755683 0.569061 0.987541 F\n0.255704 0.998825 0.023968 F\n0.255723 0.657019 0.242083 F\n0.255704 0.001175 0.523968 F\n0.255723 0.342980 0.742083 F\n","nsites":12,"nelements":3,"elements":["Mn","O","F"],"chemical_system":"F-Mn-O","density":3.9478707239838764,"density_atomic":0.0780047320724419,"volume":153.8368209361423,"volume_molar":7.7202249145697,"formula_full":"Mn4 O2 F6","formula_reduced":"Mn2OF3","formula_anonymous":"AB2C3","energy_above_hull":1.5640664717097703,"spacegroup":26},{"id":"jvasp-54461","created_at":"2022-09-04T14:37:43.672555Z","updated_at":"2022-09-04T14:37:43.672582Z","structure_string":"Cu1 O2\n1.0\n2.747461 0.000000 0.657945\n1.373730 3.058696 0.328972\n0.337229 0.000000 4.657217\nCu O\n1 2\ndirect\n0.250000 0.500001 0.500000 Cu\n0.621170 0.500001 0.757658 O\n0.878829 0.500001 0.242341 O\n","nsites":3,"nelements":2,"elements":["Cu","O"],"chemical_system":"Cu-O","density":4.125329857849334,"density_atomic":0.07800524076868066,"volume":38.458954429694025,"volume_molar":7.720174568601431,"formula_full":"Cu1 O2","formula_reduced":"CuO2","formula_anonymous":"AB2","energy_above_hull":1.3498409374999998,"spacegroup":69},{"id":"jvasp-101263","created_at":"2022-09-04T14:36:47.797179Z","updated_at":"2022-09-04T14:36:47.797200Z","structure_string":"W2 O4 F4\n1.0\n3.881501 0.011395 0.000000\n0.003784 3.881515 0.000000\n0.000000 0.000000 8.508674\nW O F\n2 4 4\ndirect\n0.307559 0.307560 0.250000 W\n0.692440 0.692443 0.750000 W\n0.731226 0.233087 0.750000 O\n0.766914 0.268775 0.250000 O\n0.233085 0.731228 0.750000 O\n0.268773 0.766916 0.250000 O\n0.246640 0.246641 0.032032 F\n0.246640 0.246641 0.467968 F\n0.753358 0.753361 0.532031 F\n0.753358 0.753361 0.967968 F\n","nsites":10,"nelements":3,"elements":["W","O","F"],"chemical_system":"F-O-W","density":6.576124434436871,"density_atomic":0.07800786417397577,"volume":128.19220351550277,"volume_molar":7.719914939049246,"formula_full":"W2 O4 F4","formula_reduced":"W(OF)2","formula_anonymous":"AB2C2","energy_above_hull":2.154757513,"spacegroup":63},{"id":"jvasp-41384","created_at":"2022-09-04T14:38:33.580116Z","updated_at":"2022-09-04T14:38:33.580148Z","structure_string":"Lu6 Ni14 B4\n1.0\n2.498845 -4.328127 -0.000000\n2.498845 4.328127 0.000000\n-0.000000 0.000000 14.223190\nLu Ni B\n6 14 4\ndirect\n0.333332 0.666666 0.216851 Lu\n0.666666 0.333332 0.716853 Lu\n0.666666 0.333332 0.283147 Lu\n0.333332 0.666666 0.783149 Lu\n0.333332 0.666666 0.000000 Lu\n0.666666 0.333332 0.500000 Lu\n0.166050 0.833948 0.397155 Ni\n0.166051 0.332102 0.397155 Ni\n0.667896 0.833947 0.397155 Ni\n0.332102 0.166051 0.897153 Ni\n0.833947 0.667896 0.897153 Ni\n0.833947 0.166051 0.897153 Ni\n0.332102 0.166051 0.102847 Ni\n0.166051 0.332102 0.602845 Ni\n0.667896 0.833947 0.602845 Ni\n0.833947 0.166051 0.102847 Ni\n0.166050 0.833948 0.602845 Ni\n0.000000 0.000000 0.249997 Ni\n0.000000 0.000000 0.750003 Ni\n0.833947 0.667896 0.102847 Ni\n0.000000 0.000000 0.500000 B\n0.333332 0.666666 0.500000 B\n0.666666 0.333332 0.000000 B\n0.000000 0.000000 0.000000 B\n","nsites":24,"nelements":3,"elements":["Lu","Ni","B"],"chemical_system":"B-Lu-Ni","density":10.334647568237678,"density_atomic":0.07800903767347611,"volume":307.6566602507936,"volume_molar":7.719798807424068,"formula_full":"Lu6 Ni14 B4","formula_reduced":"Lu3Ni7B2","formula_anonymous":"A2B3C7","energy_above_hull":2.008144101388889,"spacegroup":194},{"id":"jvasp-29366","created_at":"2022-09-04T14:37:59.473695Z","updated_at":"2022-09-04T14:37:59.473715Z","structure_string":"V8 O20\n1.0\n11.735801 0.000000 0.000000\n0.000000 8.581358 0.000000\n0.000000 -0.000000 3.563978\nV O\n8 20\ndirect\n0.852165 0.944629 0.600048 V\n0.647835 0.555371 0.099956 V\n0.647835 0.055371 0.100048 V\n0.352165 0.555371 0.099956 V\n0.352165 0.055371 0.100048 V\n0.147835 0.944629 0.600048 V\n0.147835 0.444629 0.599957 V\n0.852166 0.444629 0.599957 V\n0.681808 0.502062 0.599955 O\n0.853913 0.256939 0.599969 O\n0.818192 0.497939 0.099955 O\n0.818193 0.997940 0.100048 O\n0.681807 0.002060 0.600048 O\n0.853913 0.756937 0.600032 O\n0.000000 0.996280 0.600066 O\n0.500000 0.003720 0.100066 O\n0.500000 0.503717 0.099932 O\n0.353913 0.243064 0.100031 O\n0.353913 0.743061 0.099969 O\n0.318192 0.502062 0.599955 O\n0.318193 0.002060 0.600048 O\n0.181808 0.497939 0.099955 O\n0.181807 0.997940 0.100048 O\n0.146087 0.756937 0.600032 O\n0.146088 0.256939 0.599969 O\n0.000000 0.496283 0.599932 O\n0.646087 0.243064 0.100031 O\n0.646088 0.743061 0.099969 O\n","nsites":28,"nelements":2,"elements":["V","O"],"chemical_system":"O-V","density":3.365815163772183,"density_atomic":0.0780107152340458,"volume":358.925051718794,"volume_molar":7.719632799074491,"formula_full":"V8 O20","formula_reduced":"V2O5","formula_anonymous":"A2B5","energy_above_hull":3.0429222714285715,"spacegroup":59},{"id":"jvasp-45250","created_at":"2022-09-04T14:38:04.583931Z","updated_at":"2022-09-04T14:38:04.583952Z","structure_string":"Ca8 Pd2 O12\n1.0\n6.557764 0.000368 -0.063310\n-0.063927 6.557453 -0.063310\n0.000364 0.000368 6.558070\nCa Pd O\n8 2 12\ndirect\n0.616552 0.883447 0.250000 Ca\n0.249999 0.616553 0.883447 Ca\n0.883446 0.250000 0.616553 Ca\n0.383447 0.116553 0.750000 Ca\n0.749999 0.383447 0.116553 Ca\n0.116552 0.750000 0.383447 Ca\n0.749999 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Ca\n0.499999 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n0.071049 0.297454 0.945597 O\n0.797453 0.571049 0.445597 O\n0.554402 0.202546 0.428951 O\n0.428950 0.554403 0.202546 O\n0.202546 0.428951 0.554403 O\n0.702545 0.054403 0.928951 O\n0.928950 0.702546 0.054403 O\n0.054402 0.928950 0.702546 O\n0.445596 0.797454 0.571049 O\n0.571048 0.445598 0.797454 O\n0.945596 0.071050 0.297454 O\n0.297453 0.945597 0.071049 O\n","nsites":22,"nelements":3,"elements":["Ca","Pd","O"],"chemical_system":"Ca-O-Pd","density":4.271623112927755,"density_atomic":0.07801084016435189,"volume":282.0120890077684,"volume_molar":7.7196204364837735,"formula_full":"Ca8 Pd2 O12","formula_reduced":"Ca4PdO6","formula_anonymous":"AB4C6","energy_above_hull":1.3479834890909088,"spacegroup":167},{"id":"jvasp-108178","created_at":"2022-09-04T14:38:16.585679Z","updated_at":"2022-09-04T14:38:16.585700Z","structure_string":"Ba1 Y1 Cr1 Cu1 O5\n1.0\n3.894077 -0.000812 0.000004\n0.000813 3.894077 0.000046\n-0.000009 -0.000093 7.607770\nBa Y Cr Cu O\n1 1 1 1 5\ndirect\n0.999999 1.000001 0.984754 Ba\n-0.000001 -0.000000 0.456986 Y\n0.499999 0.500000 0.696266 Cr\n0.499999 0.500001 0.260137 Cu\n-0.000002 0.500000 0.649636 O\n0.499999 1.000000 0.649636 O\n-0.000001 0.500001 0.277575 O\n0.500000 0.000001 0.277575 O\n0.499999 0.500000 0.935354 O\n","nsites":9,"nelements":5,"elements":["Ba","Y","Cr","Cu","O"],"chemical_system":"Ba-Cr-Cu-O-Y","density":6.0710013288140425,"density_atomic":0.07801462878697775,"volume":115.36297922502307,"volume_molar":7.71924554873383,"formula_full":"Ba1 Y1 Cr1 Cu1 O5","formula_reduced":"BaYCrCuO5","formula_anonymous":"ABCDE5","energy_above_hull":2.229171863333333,"spacegroup":99},{"id":"jvasp-32943","created_at":"2022-09-04T14:37:07.537304Z","updated_at":"2022-09-04T14:37:07.537326Z","structure_string":"As1 N1 O2 F6\n1.0\n5.184418 0.456674 -0.060770\n-0.224646 5.199640 -0.060770\n0.174648 0.199176 4.732649\nAs N O F\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.500000 N\n0.586714 0.586714 0.690715 O\n0.413286 0.413286 0.309285 O\n0.199463 0.199464 0.787826 F\n0.084202 0.735404 0.783187 F\n0.735404 0.084202 0.783187 F\n0.264596 0.915798 0.216813 F\n0.915798 0.264596 0.216813 F\n0.800537 0.800536 0.212174 F\n","nsites":10,"nelements":4,"elements":["As","N","O","F"],"chemical_system":"As-F-N-O","density":3.0432996444065514,"density_atomic":0.07801537706604422,"volume":128.17985858780713,"volume_molar":7.719171510126693,"formula_full":"As1 N1 O2 F6","formula_reduced":"AsN(OF3)2","formula_anonymous":"ABC2D6","energy_above_hull":1.2166093695,"spacegroup":12},{"id":"jvasp-58222","created_at":"2022-09-04T14:36:56.543292Z","updated_at":"2022-09-04T14:36:56.543309Z","structure_string":"Ba1 Mg1 Mn4 O8\n1.0\n2.693545 -4.665358 0.000000\n2.693545 4.665358 -0.000000\n-0.000000 0.000000 7.140058\nBa Mg Mn O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Mg\n0.333334 0.666668 0.738107 Mn\n0.666668 0.333334 0.738107 Mn\n0.333334 0.666668 0.261893 Mn\n0.666668 0.333334 0.261893 Mn\n0.685888 0.000000 0.679278 O\n0.000000 0.685888 0.679278 O\n0.314113 0.314113 0.679278 O\n0.314113 0.000000 0.320722 O\n0.685889 0.685889 0.320722 O\n0.000000 0.314113 0.320722 O\n0.333334 0.666668 0.000000 O\n0.666668 0.333334 0.000000 O\n","nsites":14,"nelements":4,"elements":["Ba","Mg","Mn","O"],"chemical_system":"Ba-Mg-Mn-O","density":4.713565123971524,"density_atomic":0.07801661255881623,"volume":179.44896017428965,"volume_molar":7.719049267180046,"formula_full":"Ba1 Mg1 Mn4 O8","formula_reduced":"BaMgMn4O8","formula_anonymous":"ABC4D8","energy_above_hull":2.9571822846798024,"spacegroup":162}]}