{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-nsites&page=551","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-nsites&page=549","results":[{"id":"jvasp-22626","created_at":"2022-09-04T14:35:42.714053Z","updated_at":"2022-09-04T14:35:42.714073Z","structure_string":"Te4 F16\n1.0\n5.297738 0.000000 0.000000\n0.000000 6.059494 0.000000\n0.000000 0.000000 9.534491\nTe F\n4 16\ndirect\n0.153569 0.996074 0.619220 Te\n0.346431 0.003926 0.119220 Te\n0.653569 0.503925 0.380780 Te\n0.846432 0.496074 0.880780 Te\n0.789583 0.781096 0.447771 F\n0.588676 0.202047 0.250476 F\n0.289582 0.718903 0.552228 F\n0.945603 0.358536 0.462937 F\n0.866680 0.547703 0.224420 F\n0.088676 0.297953 0.749524 F\n0.445603 0.141464 0.537063 F\n0.366680 0.952296 0.775579 F\n0.911324 0.797953 0.750476 F\n0.133320 0.047703 0.275579 F\n0.411324 0.702046 0.249524 F\n0.554397 0.641463 0.962937 F\n0.054397 0.858536 0.037063 F\n0.710418 0.218903 0.947771 F\n0.633321 0.452296 0.724420 F\n0.210418 0.281096 0.052228 F\n","nsites":20,"nelements":2,"elements":["Te","F"],"chemical_system":"F-Te","density":4.4182357815095505,"density_atomic":0.06534398950533779,"volume":306.0725271199771,"volume_molar":9.216059205427097,"formula_full":"Te4 F16","formula_reduced":"TeF4","formula_anonymous":"AB4","energy_above_hull":0.0,"spacegroup":19},{"id":"jvasp-50369","created_at":"2022-09-04T14:35:44.626911Z","updated_at":"2022-09-04T14:35:44.626931Z","structure_string":"Hf8 N8 O4\n1.0\n5.425372 0.000918 0.000984\n2.711705 4.767146 0.000206\n2.710510 1.483828 9.754398\nHf N O\n8 8 4\ndirect\n0.417737 0.438458 0.713916 Hf\n0.907498 0.956571 0.211991 Hf\n0.326627 0.294198 0.036099 Hf\n0.170476 0.164673 0.463861 Hf\n0.820721 0.812239 0.534182 Hf\n0.049591 0.086034 0.784238 Hf\n0.679076 0.672459 0.963079 Hf\n0.565203 0.578282 0.285023 Hf\n0.624205 0.333979 0.121073 N\n0.587581 0.868836 0.374874 N\n0.081844 0.381905 0.873219 N\n0.329834 0.916784 0.127034 N\n0.675055 0.076555 0.881072 N\n0.883280 0.174188 0.367022 N\n0.835128 0.422065 0.628918 N\n0.136724 0.828635 0.619175 N\n0.934297 0.625382 0.124044 O\n0.382269 0.690604 0.865119 O\n0.444636 0.125340 0.624053 O\n0.188603 0.560110 0.382991 O\n","nsites":20,"nelements":3,"elements":["Hf","N","O"],"chemical_system":"Hf-N-O","density":10.558857957080523,"density_atomic":0.07928687111633831,"volume":252.24857177998396,"volume_molar":7.5953820288401355,"formula_full":"Hf8 N8 O4","formula_reduced":"Hf2N2O","formula_anonymous":"AB2C2","energy_above_hull":4.5664172,"spacegroup":5},{"id":"jvasp-63708","created_at":"2022-09-04T14:35:42.430684Z","updated_at":"2022-09-04T14:35:42.430706Z","structure_string":"Sc4 B8 C8\n1.0\n3.444869 0.000000 0.000000\n0.000000 5.276118 -0.000000\n0.000000 -0.000000 10.191704\nSc B C\n4 8 8\ndirect\n0.000000 0.137864 0.851294 Sc\n0.000000 0.862137 0.148706 Sc\n0.000000 0.362137 0.351294 Sc\n0.000000 0.637864 0.648706 Sc\n0.500000 0.986573 0.688992 B\n0.500000 0.013427 0.311007 B\n0.500000 0.486573 0.811007 B\n0.500000 0.513428 0.188992 B\n0.500000 0.143704 0.035428 B\n0.500000 0.643704 0.464572 B\n0.500000 0.356296 0.535427 B\n0.500000 0.856296 0.964572 B\n0.500000 0.202864 0.190905 C\n0.500000 0.392505 0.955371 C\n0.500000 0.607496 0.044629 C\n0.500000 0.107495 0.455371 C\n0.500000 0.892505 0.544628 C\n0.500000 0.297136 0.690905 C\n0.500000 0.702864 0.309095 C\n0.500000 0.797136 0.809095 C\n","nsites":20,"nelements":3,"elements":["Sc","B","C"],"chemical_system":"B-C-Sc","density":3.2486279410451453,"density_atomic":0.10796823018150316,"volume":185.23967621195987,"volume_molar":5.577697022426229,"formula_full":"Sc4 B8 C8","formula_reduced":"Sc(BC)2","formula_anonymous":"AB2C2","energy_above_hull":4.923468083333334,"spacegroup":55},{"id":"jvasp-97729","created_at":"2022-09-04T14:35:42.071202Z","updated_at":"2022-09-04T14:35:42.071235Z","structure_string":"Ce8 W4 C8\n1.0\n5.671198 0.000000 0.000000\n0.000000 5.671198 0.000000\n0.000000 0.000000 10.449742\nCe W C\n8 4 8\ndirect\n0.182897 0.182897 0.343707 Ce\n0.317103 0.682898 0.843707 Ce\n0.682898 0.317103 0.843707 Ce\n0.682898 0.317103 0.156292 Ce\n0.317103 0.682898 0.156292 Ce\n0.182897 0.182897 0.656292 Ce\n0.817103 0.817103 0.343707 Ce\n0.817103 0.817103 0.656292 Ce\n0.680164 0.319837 0.500000 W\n0.180163 0.180163 0.000000 W\n0.819837 0.819837 0.000000 W\n0.319837 0.680164 0.500000 W\n0.000000 0.000000 0.144198 C\n0.500000 0.500000 0.644198 C\n0.500000 0.000000 0.500000 C\n0.500000 0.500000 0.355802 C\n0.000000 0.000000 0.855802 C\n0.500000 0.000000 0.000000 C\n0.000000 0.500000 0.000000 C\n0.000000 0.500000 0.500000 C\n","nsites":20,"nelements":3,"elements":["Ce","W","C"],"chemical_system":"C-Ce-W","density":9.646212736323626,"density_atomic":0.059507925039675405,"volume":336.08968867029904,"volume_molar":10.11989706578559,"formula_full":"Ce8 W4 C8","formula_reduced":"Ce2WC2","formula_anonymous":"AB2C2","energy_above_hull":5.125220200000001,"spacegroup":136},{"id":"jvasp-88025","created_at":"2022-09-04T14:35:46.486822Z","updated_at":"2022-09-04T14:35:46.486857Z","structure_string":"Ti4 Cd1 Cu3 O12\n1.0\n6.080239 0.000000 -2.149688\n-3.040120 5.265640 -2.149688\n-0.000000 -0.000000 6.449066\nTi Cd Cu O\n4 1 3 12\ndirect\n0.500000 0.500000 0.500000 Ti\n-0.000000 0.500000 -0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.500000 -0.000000 -0.000000 Ti\n0.000000 0.000000 0.000000 Cd\n-0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 -0.000000 Cu\n0.500000 -0.000000 0.500000 Cu\n0.872957 0.177877 0.695080 O\n0.177877 0.304920 0.482798 O\n0.304920 0.482798 0.177877 O\n0.695080 0.517202 0.822123 O\n0.822123 0.304920 0.127043 O\n0.177877 0.695080 0.872957 O\n0.822123 0.695080 0.517202 O\n0.304920 0.127043 0.822123 O\n0.127043 0.822123 0.304920 O\n0.482798 0.177877 0.304920 O\n0.695080 0.872957 0.177877 O\n0.517202 0.822123 0.695080 O\n","nsites":20,"nelements":4,"elements":["Ti","Cd","Cu","O"],"chemical_system":"Cd-Cu-O-Ti","density":5.521120201713475,"density_atomic":0.09686376806008674,"volume":206.47555221673346,"volume_molar":6.217124194739496,"formula_full":"Ti4 Cd1 Cu3 O12","formula_reduced":"Ti4Cd(CuO4)3","formula_anonymous":"AB3C4D12","energy_above_hull":2.484011321666667,"spacegroup":204},{"id":"jvasp-98977","created_at":"2022-09-04T14:35:44.934183Z","updated_at":"2022-09-04T14:35:44.934208Z","structure_string":"Sn8 S12\n1.0\n3.821539 -0.000000 0.000000\n0.000000 8.992395 0.000000\n0.000000 0.000000 14.072419\nSn S\n8 12\ndirect\n0.250000 0.012893 0.330709 Sn\n0.250000 0.512893 0.169291 Sn\n0.750000 0.487107 0.830709 Sn\n0.250000 0.666284 0.551308 Sn\n0.750000 0.333716 0.448692 Sn\n0.250000 0.166284 0.948692 Sn\n0.750000 0.833717 0.051308 Sn\n0.750000 0.987107 0.669291 Sn\n0.250000 0.788892 0.713308 S\n0.750000 0.211109 0.286693 S\n0.750000 0.982406 0.892386 S\n0.250000 0.159890 0.506420 S\n0.750000 0.840111 0.493581 S\n0.250000 0.659890 0.993581 S\n0.750000 0.340110 0.006420 S\n0.250000 0.517594 0.392386 S\n0.750000 0.482406 0.607614 S\n0.250000 0.017594 0.107614 S\n0.750000 0.711109 0.213307 S\n0.250000 0.288892 0.786693 S\n","nsites":20,"nelements":2,"elements":["Sn","S"],"chemical_system":"S-Sn","density":4.582180880487367,"density_atomic":0.04135686084200611,"volume":483.59569833902924,"volume_molar":14.561406831640662,"formula_full":"Sn8 S12","formula_reduced":"Sn2S3","formula_anonymous":"A2B3","energy_above_hull":1.29053068,"spacegroup":62},{"id":"jvasp-44720","created_at":"2022-09-04T14:35:46.148648Z","updated_at":"2022-09-04T14:35:46.148680Z","structure_string":"P4 W2 O14\n1.0\n0.000000 4.967786 -0.072501\n8.282924 0.000000 0.000000\n0.000000 -2.222779 -6.709849\nP W O\n4 2 14\ndirect\n0.227867 0.976471 0.103858 P\n0.608706 0.056515 0.492670 P\n0.391294 0.556515 0.507330 P\n0.772134 0.476472 0.896142 P\n0.783182 0.742668 0.272303 W\n0.216818 0.242669 0.727697 W\n0.584503 0.332212 0.911875 O\n0.585812 0.597746 0.728355 O\n0.426812 0.068567 0.633049 O\n0.284739 0.384362 0.509270 O\n0.157026 0.682757 0.465879 O\n0.842975 0.182757 0.534121 O\n0.414189 0.097746 0.271645 O\n0.573189 0.568567 0.366951 O\n0.131322 0.077959 0.918528 O\n0.415497 0.832212 0.088125 O\n0.868678 0.577959 0.081472 O\n0.977980 0.922703 0.172203 O\n0.715262 0.884361 0.490730 O\n0.022020 0.422703 0.827797 O\n","nsites":20,"nelements":3,"elements":["P","W","O"],"chemical_system":"O-P-W","density":4.282972485657383,"density_atomic":0.07209017709486436,"volume":277.4303075116843,"volume_molar":8.35362181462724,"formula_full":"P4 W2 O14","formula_reduced":"P2WO7","formula_anonymous":"AB2C7","energy_above_hull":3.47225055,"spacegroup":4},{"id":"jvasp-89300","created_at":"2022-09-04T14:35:41.032764Z","updated_at":"2022-09-04T14:35:41.032791Z","structure_string":"Mn2 Nb6 O12\n1.0\n5.823825 0.000000 3.072916\n1.910220 5.884311 3.434879\n-0.011095 0.007959 7.076176\nMn Nb O\n2 6 12\ndirect\n0.747997 -0.000000 0.000000 Mn\n0.252003 -0.000000 0.000000 Mn\n0.223603 0.497376 0.055417 Nb\n0.201068 0.500000 0.500001 Nb\n0.798932 0.500000 0.500001 Nb\n0.223603 0.055417 0.497377 Nb\n0.776397 0.944583 0.502625 Nb\n0.776397 0.502624 0.944584 Nb\n0.646418 0.853581 0.853582 O\n0.353582 0.146419 0.146419 O\n0.143771 0.829841 0.439014 O\n0.412626 0.560987 0.170159 O\n0.143771 0.439013 0.829842 O\n0.587374 0.829841 0.439014 O\n0.856229 0.170159 0.560987 O\n0.587374 0.439013 0.829842 O\n0.856229 0.560987 0.170159 O\n0.412626 0.170159 0.560987 O\n0.858017 0.141984 0.141984 O\n0.141983 0.858016 0.858017 O\n","nsites":20,"nelements":3,"elements":["Mn","Nb","O"],"chemical_system":"Mn-Nb-O","density":5.882164594543727,"density_atomic":0.0824460086236035,"volume":242.582998666526,"volume_molar":7.304344819763559,"formula_full":"Mn2 Nb6 O12","formula_reduced":"MnNb3O6","formula_anonymous":"AB3C6","energy_above_hull":3.9842996441379306,"spacegroup":71},{"id":"jvasp-48024","created_at":"2022-09-04T14:35:45.189678Z","updated_at":"2022-09-04T14:35:45.189704Z","structure_string":"Li4 Mn4 F12\n1.0\n6.134569 -0.000000 0.000000\n0.000000 6.134569 -0.000000\n0.000000 0.000000 6.134569\nLi Mn F\n4 4 12\ndirect\n0.624987 0.624987 0.624987 Li\n0.375013 0.124987 0.875013 Li\n0.875013 0.375013 0.124987 Li\n0.124987 0.875013 0.375013 Li\n0.336311 0.336311 0.336311 Mn\n0.163689 0.663689 0.836311 Mn\n0.836311 0.163689 0.663689 Mn\n0.663689 0.836311 0.163689 Mn\n0.766465 0.870705 0.493738 F\n0.733536 0.129295 0.993738 F\n0.506262 0.266465 0.629295 F\n0.629295 0.506262 0.266465 F\n0.370705 0.006262 0.233535 F\n0.006262 0.233535 0.370705 F\n0.266465 0.629295 0.506262 F\n0.233535 0.370705 0.006262 F\n0.993738 0.733536 0.129295 F\n0.129295 0.993738 0.733536 F\n0.493738 0.766465 0.870705 F\n0.870705 0.493738 0.766465 F\n","nsites":20,"nelements":3,"elements":["Li","Mn","F"],"chemical_system":"F-Li-Mn","density":3.420146652292911,"density_atomic":0.08663189786709473,"volume":230.86184756892612,"volume_molar":6.951412710868686,"formula_full":"Li4 Mn4 F12","formula_reduced":"LiMnF3","formula_anonymous":"ABC3","energy_above_hull":0.419411617775862,"spacegroup":198},{"id":"jvasp-48232","created_at":"2022-09-04T14:35:44.608969Z","updated_at":"2022-09-04T14:35:44.608994Z","structure_string":"Li1 Mn7 O12\n1.0\n4.969881 0.019429 -0.069343\n2.486976 4.302911 0.069343\n-0.916316 1.580819 9.664281\nLi Mn O\n1 7 12\ndirect\n0.928693 0.928693 0.750000 Li\n0.072940 0.072940 0.250000 Mn\n0.254861 0.254861 0.750000 Mn\n0.418251 0.418251 0.250000 Mn\n0.579459 0.579459 0.750000 Mn\n0.520072 -0.001037 0.509680 Mn\n0.744485 0.744485 0.250000 Mn\n-0.001037 0.520073 0.990320 Mn\n0.710190 0.455791 0.143619 O\n0.625860 0.854117 0.862609 O\n0.455791 0.710190 0.356381 O\n0.776736 0.032458 0.360405 O\n0.244581 0.966230 0.636704 O\n0.032458 0.776736 0.139595 O\n0.346015 0.144183 0.139698 O\n0.299297 0.527134 0.856220 O\n0.966229 0.244581 0.863296 O\n0.144183 0.346015 0.360302 O\n0.527134 0.299297 0.643780 O\n0.854116 0.625860 0.637390 O\n","nsites":20,"nelements":3,"elements":["Li","Mn","O"],"chemical_system":"Li-Mn-O","density":4.723899830164587,"density_atomic":0.09750808608914242,"volume":205.11119438562142,"volume_molar":6.1760424202096695,"formula_full":"Li1 Mn7 O12","formula_reduced":"LiMn7O12","formula_anonymous":"AB7C12","energy_above_hull":3.6588696344827594,"spacegroup":5},{"id":"jvasp-96988","created_at":"2022-09-04T14:35:46.911432Z","updated_at":"2022-09-04T14:35:46.911459Z","structure_string":"Mn4 Tl4 I12\n1.0\n4.276829 -0.000000 0.000000\n-0.000000 10.092009 0.000000\n0.000000 0.000000 16.126700\nMn Tl I\n4 4 12\ndirect\n0.250000 0.662414 0.556100 Mn\n0.750000 0.337586 0.443900 Mn\n0.250000 0.162414 0.943900 Mn\n0.750000 0.837586 0.056100 Mn\n0.750000 0.052971 0.674613 Tl\n0.250000 0.947029 0.325387 Tl\n0.250000 0.447029 0.174613 Tl\n0.750000 0.552971 0.825387 Tl\n0.750000 0.719771 0.212676 I\n0.750000 0.477221 0.604581 I\n0.750000 0.219771 0.287324 I\n0.250000 0.780229 0.712676 I\n0.750000 0.830061 0.493248 I\n0.250000 0.169939 0.506752 I\n0.750000 0.330061 0.006752 I\n0.250000 0.669939 0.993248 I\n0.250000 0.022779 0.104581 I\n0.750000 0.977221 0.895419 I\n0.250000 0.522779 0.395419 I\n0.250000 0.280229 0.787324 I\n","nsites":20,"nelements":3,"elements":["Mn","Tl","I"],"chemical_system":"I-Mn-Tl","density":6.107558338502973,"density_atomic":0.028733264670203117,"volume":696.0573478007997,"volume_molar":20.958776627443463,"formula_full":"Mn4 Tl4 I12","formula_reduced":"MnTlI3","formula_anonymous":"ABC3","energy_above_hull":0.4589277332758621,"spacegroup":62},{"id":"jvasp-48576","created_at":"2022-09-04T14:35:44.313533Z","updated_at":"2022-09-04T14:35:44.313568Z","structure_string":"Li5 Ti2 Co3 O10\n1.0\n5.066612 -0.041456 -0.008574\n0.791566 4.971296 -0.022060\n2.441285 2.015106 6.868774\nLi Ti Co O\n5 2 3 10\ndirect\n0.226877 0.501377 0.591883 Li\n0.423982 0.488657 0.201527 Li\n0.501318 0.005006 0.495578 Li\n0.782663 0.510977 0.403468 Li\n0.581468 0.509051 0.796036 Li\n0.112735 0.996432 0.296065 Ti\n0.882002 0.013451 0.700272 Ti\n0.309527 0.998789 0.887981 Co\n0.696006 0.002710 0.100802 Co\n0.000574 0.499997 0.999426 Co\n0.861371 0.778848 0.542291 O\n0.024035 0.760484 0.145866 O\n0.140262 0.226893 0.455421 O\n0.355712 0.241429 0.056763 O\n0.222330 0.744240 0.761746 O\n0.441008 0.769696 0.333543 O\n0.570250 0.247477 0.647845 O\n0.773290 0.243917 0.231832 O\n0.659536 0.760979 0.951517 O\n0.943253 0.240778 0.865262 O\n","nsites":20,"nelements":4,"elements":["Li","Ti","Co","O"],"chemical_system":"Co-Li-O-Ti","density":4.470480320539555,"density_atomic":0.11523965848573144,"volume":173.5513647194323,"volume_molar":5.225753737152598,"formula_full":"Li5 Ti2 Co3 O10","formula_reduced":"Li5Ti2Co3O10","formula_anonymous":"A2B3C5D10","energy_above_hull":2.742460218333333,"spacegroup":1}]}