{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=volume&page=3465","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=volume&page=3463","results":[{"id":"jvasp-32828","created_at":"2022-09-04T14:38:04.996143Z","updated_at":"2022-09-04T14:38:04.996173Z","structure_string":"Sn1 I4\n1.0\n6.084812 0.000000 -0.000000\n-0.000000 6.084812 -0.000000\n-0.000000 0.000000 6.084812\nSn I\n1 4\ndirect\n0.000000 0.000000 0.000000 Sn\n0.257923 0.742076 0.742076 I\n0.742076 0.257923 0.742076 I\n0.742076 0.742076 0.257923 I\n0.257923 0.257923 0.257923 I\n","nsites":5,"nelements":2,"elements":["Sn","I"],"chemical_system":"I-Sn","density":4.616462880415994,"density_atomic":0.022193638648807704,"volume":225.28978141529814,"volume_molar":27.134535509451144,"formula_full":"Sn1 I4","formula_reduced":"SnI4","formula_anonymous":"AB4","energy_above_hull":0.0,"spacegroup":215},{"id":"jvasp-42707","created_at":"2022-09-04T14:37:12.879503Z","updated_at":"2022-09-04T14:37:12.879530Z","structure_string":"Mn8 O14 F2\n1.0\n-4.330658 0.000000 0.023066\n0.025025 5.382473 -4.832937\n0.025025 -5.382473 -4.832937\nMn O F\n8 14 2\ndirect\n0.523899 0.685194 0.053015 Mn\n0.500002 0.301302 0.948698 Mn\n0.476104 0.196985 0.564805 Mn\n0.500002 0.803931 0.446070 Mn\n0.980133 0.948213 0.793120 Mn\n0.000001 0.553092 0.696909 Mn\n0.019870 0.456880 0.301788 Mn\n0.000000 0.052079 0.197922 Mn\n0.233180 0.770405 0.652077 O\n0.233447 0.266614 0.154934 O\n0.225942 0.400628 0.519267 O\n0.260615 0.019420 0.399145 O\n0.271067 0.517274 0.901614 O\n0.269625 0.654282 0.262991 O\n0.254830 0.151937 0.770740 O\n0.728936 0.348387 0.732727 O\n0.745172 0.479260 0.098063 O\n0.730378 0.987009 0.595719 O\n0.766823 0.597924 0.479595 O\n0.774061 0.730733 0.849373 O\n0.766555 0.095066 0.983386 O\n0.739387 0.850855 0.230580 O\n0.750823 0.231991 0.349462 F\n0.249180 0.900537 0.018009 F\n","nsites":24,"nelements":3,"elements":["Mn","O","F"],"chemical_system":"F-Mn-O","density":5.170200610325563,"density_atomic":0.10652372426885208,"volume":225.3019237238374,"volume_molar":5.6533329090155515,"formula_full":"Mn8 O14 F2","formula_reduced":"Mn4O7F","formula_anonymous":"AB4C7","energy_above_hull":3.269639479001437,"spacegroup":5},{"id":"jvasp-66039","created_at":"2022-09-04T14:35:52.263753Z","updated_at":"2022-09-04T14:35:52.263784Z","structure_string":"Ba4 Zr1 Ru1\n1.0\n0.000000 4.829633 4.829633\n4.829633 -0.000000 4.829633\n4.829633 4.829633 0.000000\nBa Zr Ru\n4 1 1\ndirect\n0.127127 0.624290 0.624290 Ba\n0.624290 0.624290 0.624290 Ba\n0.624290 0.127127 0.624290 Ba\n0.624290 0.624290 0.127127 Ba\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Ru\n","nsites":6,"nelements":3,"elements":["Ba","Zr","Ru"],"chemical_system":"Ba-Ru-Zr","density":5.465722813047001,"density_atomic":0.026630471989034853,"volume":225.30580766538841,"volume_molar":22.613721463440935,"formula_full":"Ba4 Zr1 Ru1","formula_reduced":"Ba4ZrRu","formula_anonymous":"ABC4","energy_above_hull":1.6636881466666669,"spacegroup":216},{"id":"jvasp-106281","created_at":"2022-09-04T14:38:39.941214Z","updated_at":"2022-09-04T14:38:39.941235Z","structure_string":"Yb2 Ce6\n1.0\n6.748610 -0.000000 -0.000000\n-3.374305 5.844467 0.000000\n-0.000000 -0.000000 5.713081\nYb Ce\n2 6\ndirect\n0.333334 0.666667 0.750000 Yb\n0.666667 0.333333 0.250000 Yb\n0.147133 0.294266 0.250000 Ce\n0.705735 0.852868 0.250000 Ce\n0.147133 0.852868 0.250000 Ce\n0.852868 0.705734 0.750000 Ce\n0.294266 0.147133 0.750000 Ce\n0.852868 0.147133 0.750000 Ce\n","nsites":8,"nelements":2,"elements":["Yb","Ce"],"chemical_system":"Ce-Yb","density":8.745572191495073,"density_atomic":0.03550261669068173,"volume":225.335503286994,"volume_molar":16.962526487746505,"formula_full":"Yb2 Ce6","formula_reduced":"YbCe3","formula_anonymous":"AB3","energy_above_hull":1.4927693,"spacegroup":194},{"id":"jvasp-47070","created_at":"2022-09-04T14:38:04.070802Z","updated_at":"2022-09-04T14:38:04.070837Z","structure_string":"Hf4 Co4 O12\n1.0\n5.385299 0.000000 0.000000\n0.000000 5.375827 0.000000\n0.000000 0.000000 7.785320\nHf Co O\n4 4 12\ndirect\n0.500000 0.000000 0.000000 Hf\n0.500000 0.000000 0.500000 Hf\n0.000000 0.500000 0.000000 Hf\n0.000000 0.500000 0.500000 Hf\n0.017569 0.027485 0.250000 Co\n0.517569 0.472516 0.750000 Co\n0.482432 0.527485 0.250000 Co\n0.982432 0.972516 0.750000 Co\n0.837109 0.835102 0.068497 O\n0.337109 0.664899 0.931503 O\n0.337109 0.664899 0.568497 O\n0.877298 0.590332 0.750000 O\n0.122702 0.409669 0.250000 O\n0.162891 0.164899 0.568497 O\n0.662891 0.335102 0.068497 O\n0.162891 0.164899 0.931503 O\n0.837109 0.835102 0.431503 O\n0.622702 0.090332 0.750000 O\n0.662891 0.335102 0.431503 O\n0.377298 0.909669 0.250000 O\n","nsites":20,"nelements":3,"elements":["Hf","Co","O"],"chemical_system":"Co-Hf-O","density":8.41131776059872,"density_atomic":0.08873570873851007,"volume":225.38840658766583,"volume_molar":6.786603550715174,"formula_full":"Hf4 Co4 O12","formula_reduced":"HfCoO3","formula_anonymous":"ABC3","energy_above_hull":2.914776879999999,"spacegroup":62},{"id":"jvasp-12641","created_at":"2022-09-04T14:37:18.767968Z","updated_at":"2022-09-04T14:37:18.767983Z","structure_string":"Na4 Fe4 O8\n1.0\n5.520365 0.000000 0.000000\n0.000000 5.520365 -0.000000\n0.000000 -0.000000 7.396161\nNa Fe O\n4 4 8\ndirect\n0.797236 0.797236 0.000000 Na\n0.297235 0.702766 0.750000 Na\n0.702766 0.297235 0.250000 Na\n0.202765 0.202765 0.500000 Na\n0.811142 0.811142 0.500000 Fe\n0.688859 0.311142 0.750000 Fe\n0.311142 0.688859 0.250000 Fe\n0.188858 0.188858 0.000000 Fe\n0.153398 0.776824 0.466440 O\n0.846603 0.223176 0.966440 O\n0.776824 0.153398 0.533560 O\n0.276824 0.346602 0.216440 O\n0.723177 0.653399 0.716440 O\n0.223176 0.846603 0.033560 O\n0.653399 0.723177 0.283560 O\n0.346602 0.276824 0.783560 O\n","nsites":16,"nelements":3,"elements":["Na","Fe","O"],"chemical_system":"Fe-Na-O","density":3.2661675860675707,"density_atomic":0.0709868718786988,"volume":225.39378869011915,"volume_molar":8.48345701200996,"formula_full":"Na4 Fe4 O8","formula_reduced":"NaFeO2","formula_anonymous":"ABC2","energy_above_hull":1.509887875,"spacegroup":92},{"id":"jvasp-66137","created_at":"2022-09-04T14:35:51.377602Z","updated_at":"2022-09-04T14:35:51.377628Z","structure_string":"Ba4 V1 W1\n1.0\n0.000000 4.830271 4.830271\n4.830271 0.000000 4.830271\n4.830271 4.830271 0.000000\nBa V W\n4 1 1\ndirect\n0.123928 0.625357 0.625357 Ba\n0.625357 0.625357 0.625357 Ba\n0.625357 0.123928 0.625357 Ba\n0.625357 0.625357 0.123928 Ba\n0.250000 0.250000 0.250000 V\n0.000000 0.000000 0.000000 W\n","nsites":6,"nelements":3,"elements":["Ba","V","W"],"chemical_system":"Ba-V-W","density":5.776572760167449,"density_atomic":0.026619921030034344,"volume":225.39510891975996,"volume_molar":22.6226845421721,"formula_full":"Ba4 V1 W1","formula_reduced":"Ba4VW","formula_anonymous":"ABC4","energy_above_hull":2.38738468,"spacegroup":216},{"id":"jvasp-11372","created_at":"2022-09-04T14:36:53.272332Z","updated_at":"2022-09-04T14:36:53.272359Z","structure_string":"Zn2 Ag4 Ge2 O8\n1.0\n0.000000 5.641364 -0.010798\n5.580096 0.000000 0.000000\n0.000000 -5.555581 -7.149651\nZn Ag Ge O\n2 4 2 8\ndirect\n0.994507 0.815389 0.497686 Zn\n0.994507 0.184611 0.997686 Zn\n0.525473 0.192568 0.513426 Ag\n0.525473 0.807433 0.013426 Ag\n0.734265 0.297065 0.234768 Ag\n0.734265 0.702935 0.734768 Ag\n0.249078 0.680016 0.249344 Ge\n0.249078 0.319985 0.749344 Ge\n0.596325 0.297515 0.784952 O\n0.596325 0.702486 0.284952 O\n0.289212 0.797591 0.447108 O\n0.289212 0.202409 0.947108 O\n0.142262 0.628099 0.723629 O\n0.966876 0.159385 0.541089 O\n0.142262 0.371902 0.223629 O\n0.966876 0.840615 0.041089 O\n","nsites":16,"nelements":4,"elements":["Zn","Ag","Ge","O"],"chemical_system":"Ag-Ge-O-Zn","density":6.155647849584745,"density_atomic":0.07098455960534786,"volume":225.40113073822025,"volume_molar":8.483733354804532,"formula_full":"Zn2 Ag4 Ge2 O8","formula_reduced":"ZnAg2GeO4","formula_anonymous":"ABC2D4","energy_above_hull":1.0730731087499998,"spacegroup":7},{"id":"jvasp-66364","created_at":"2022-09-04T14:36:20.169430Z","updated_at":"2022-09-04T14:36:20.169440Z","structure_string":"Ba4 Zn1 Rh1\n1.0\n0.000000 4.830393 4.830393\n4.830393 0.000000 4.830393\n4.830393 4.830393 0.000000\nBa Zn Rh\n4 1 1\ndirect\n0.127107 0.624297 0.624297 Ba\n0.624297 0.624297 0.624297 Ba\n0.624297 0.127107 0.624297 Ba\n0.624297 0.624297 0.127107 Ba\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Rh\n","nsites":6,"nelements":3,"elements":["Ba","Zn","Rh"],"chemical_system":"Ba-Rh-Zn","density":5.286494074595096,"density_atomic":0.026617904083374857,"volume":225.41218802225342,"volume_molar":22.6243987548266,"formula_full":"Ba4 Zn1 Rh1","formula_reduced":"Ba4ZnRh","formula_anonymous":"ABC4","energy_above_hull":0.1856762133333332,"spacegroup":216},{"id":"jvasp-112680","created_at":"2022-09-04T14:38:42.691762Z","updated_at":"2022-09-04T14:38:42.691796Z","structure_string":"Fe2 Cu1 Rh3 S8\n1.0\n5.913781 -0.019310 3.342214\n1.941192 5.586139 3.342214\n-0.027248 -0.019310 6.792825\nFe Cu Rh S\n2 1 3 8\ndirect\n0.381317 0.381318 0.381318 Fe\n0.751161 0.751162 0.751161 Fe\n0.997355 0.997356 0.997356 Cu\n0.377793 0.377794 0.868536 Rh\n0.868535 0.377794 0.377794 Rh\n0.377793 0.868536 0.377794 Rh\n0.132876 0.132877 0.132876 S\n0.141953 0.141954 0.592496 S\n0.592496 0.141954 0.141953 S\n0.141953 0.592496 0.141953 S\n0.623507 0.623507 0.623507 S\n0.617115 0.617116 0.129025 S\n0.129025 0.617116 0.617116 S\n0.617115 0.129026 0.617116 S\n","nsites":14,"nelements":4,"elements":["Fe","Cu","Rh","S"],"chemical_system":"Cu-Fe-Rh-S","density":5.454540718679063,"density_atomic":0.06210523253806702,"volume":225.42383995452857,"volume_molar":9.696672106184879,"formula_full":"Fe2 Cu1 Rh3 S8","formula_reduced":"Fe2CuRh3S8","formula_anonymous":"AB2C3D8","energy_above_hull":2.637052889285714,"spacegroup":160},{"id":"jvasp-32189","created_at":"2022-09-04T14:38:04.041757Z","updated_at":"2022-09-04T14:38:04.041780Z","structure_string":"Re2 H8 N2 O8\n1.0\n5.553421 0.000000 -2.410913\n-1.046653 5.453898 -2.410913\n-0.047029 -0.056912 7.493144\nRe H N O\n2 8 2 8\ndirect\n0.000000 0.000000 0.000000 Re\n0.250000 0.750001 0.500000 Re\n0.848193 0.169871 0.599592 H\n0.401807 0.580130 0.900409 H\n0.419871 0.501399 0.099592 H\n0.570280 0.151807 0.400409 H\n0.751399 0.429720 0.599592 H\n0.679720 0.598193 0.099592 H\n0.498602 0.320281 0.900409 H\n0.830129 0.248602 0.400409 H\n0.500000 0.500000 0.000001 N\n0.750000 0.250000 0.500000 N\n0.457987 0.033634 0.663113 O\n0.283635 0.955126 0.163114 O\n0.792013 0.716367 0.836887 O\n0.370521 0.542013 0.336887 O\n0.966366 0.794875 0.336888 O\n0.205126 0.629480 0.663114 O\n0.879479 0.207988 0.163114 O\n0.044874 0.120521 0.836887 O\n","nsites":20,"nelements":4,"elements":["Re","H","N","O"],"chemical_system":"H-N-O-Re","density":3.9518642782635443,"density_atomic":0.08872059152748701,"volume":225.42681079627033,"volume_molar":6.787759928465139,"formula_full":"Re2 H8 N2 O8","formula_reduced":"ReH4NO4","formula_anonymous":"ABC4D4","energy_above_hull":3.724685525000001,"spacegroup":88},{"id":"jvasp-50224","created_at":"2022-09-04T14:37:01.492480Z","updated_at":"2022-09-04T14:37:01.492511Z","structure_string":"Y4 Hg2 O8\n1.0\n0.000000 4.830570 4.830626\n4.830439 0.000000 4.830626\n-0.000000 4.830570 -4.830626\nY Hg O\n4 2 8\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.000000 -0.000000 Y\n0.000000 0.500000 -0.000000 Y\n-0.000000 0.500000 0.500000 Y\n0.625000 0.250000 0.625000 Hg\n0.375000 0.750000 0.375000 Hg\n0.235093 0.029802 0.235091 O\n0.235105 0.029800 0.794710 O\n0.235090 0.470200 0.235094 O\n0.794711 0.470198 0.235104 O\n0.764910 0.529800 0.764905 O\n0.205289 0.529802 0.764895 O\n0.764907 0.970198 0.764908 O\n0.764896 0.970200 0.205290 O\n","nsites":14,"nelements":3,"elements":["Y","Hg","O"],"chemical_system":"Hg-O-Y","density":6.517411342085304,"density_atomic":0.062102580077534546,"volume":225.4334680221195,"volume_molar":9.697086260315446,"formula_full":"Y4 Hg2 O8","formula_reduced":"Y2HgO4","formula_anonymous":"AB2C4","energy_above_hull":1.8543456428571423,"spacegroup":227}]}