{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-energy_above_hull&page=514","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-energy_above_hull&page=512","results":[{"id":"jvasp-97604","created_at":"2022-09-04T14:35:44.224820Z","updated_at":"2022-09-04T14:35:44.224850Z","structure_string":"Ca2 Cu2 H8 C8 O16\n1.0\n6.449989 0.052914 0.000000\n-0.901024 7.249171 0.000000\n0.000000 0.000000 8.337046\nCa Cu H C O\n2 2 8 8 16\ndirect\n0.750000 -0.000000 0.136462 Ca\n0.250000 -0.000000 0.863538 Ca\n0.750000 0.499999 0.405196 Cu\n0.250000 0.500000 0.594805 Cu\n0.722825 0.847186 0.552689 H\n0.777176 0.152813 0.552689 H\n0.907134 0.433103 0.846414 H\n0.222825 0.847186 0.447311 H\n0.277176 0.152813 0.447311 H\n0.092867 0.566896 0.153586 H\n0.407134 0.433103 0.153586 H\n0.592867 0.566896 0.846414 H\n0.504018 0.318125 0.142765 C\n0.629767 0.191055 0.602437 C\n0.870234 0.808944 0.602437 C\n0.370234 0.808944 0.397564 C\n0.495983 0.681874 0.857235 C\n0.004018 0.318125 0.857235 C\n0.129767 0.191055 0.397564 C\n0.995983 0.681874 0.142765 C\n0.037505 0.805906 0.038919 O\n0.913899 0.644711 0.571321 O\n0.158739 0.314812 0.761702 O\n0.086101 0.355288 0.428680 O\n0.413899 0.644712 0.428680 O\n0.537505 0.805906 0.961081 O\n0.586101 0.355288 0.571321 O\n0.658739 0.314812 0.238298 O\n0.841261 0.685187 0.238298 O\n0.341261 0.685188 0.761702 O\n0.462496 0.194093 0.038919 O\n0.016766 0.075845 0.316090 O\n0.983235 0.924154 0.683910 O\n0.516766 0.075845 0.683910 O\n0.962496 0.194093 0.961081 O\n0.483235 0.924154 0.316090 O\n","nsites":36,"nelements":5,"elements":["Ca","Cu","H","C","O"],"chemical_system":"C-Ca-Cu-H-O","density":2.4144974381375124,"density_atomic":0.09225722199835147,"volume":390.2133537105992,"volume_molar":6.527554840213603,"formula_full":"Ca2 Cu2 H8 C8 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0.080758 0.214237\n0.671870 4.112751 0.464532\n0.130294 0.032400 6.480819\nCd H C O\n1 2 3 4\ndirect\n0.524596 0.721956 0.502528 Cd\n0.143527 0.507787 0.051789 H\n0.706190 0.526190 0.978072 H\n0.125630 0.220238 0.811226 C\n0.896989 0.131232 0.206102 C\n0.957595 0.351933 0.010746 C\n0.094485 0.852813 0.247508 O\n0.628660 0.235743 0.331678 O\n0.346190 0.951577 0.810848 O\n0.051981 0.413004 0.643022 O\n","nsites":10,"nelements":4,"elements":["Cd","H","C","O"],"chemical_system":"C-Cd-H-O","density":3.6008636837911974,"density_atomic":0.10111561029676293,"volume":98.89669825115159,"volume_molar":5.955698375676808,"formula_full":"Cd1 H2 C3 O4","formula_reduced":"CdH2C3O4","formula_anonymous":"AB2C3D4","energy_above_hull":3.623754375,"spacegroup":1},{"id":"jvasp-112161","created_at":"2022-09-04T14:38:44.875682Z","updated_at":"2022-09-04T14:38:44.875699Z","structure_string":"Cd1 H2 C3 O4\n1.0\n3.729872 0.081246 0.214557\n0.671894 4.112983 0.465256\n0.130049 0.031588 6.480625\nCd H C O\n1 2 3 4\ndirect\n0.367168 0.723718 0.508949 Cd\n0.748006 0.937973 0.959621 H\n0.185389 0.919244 0.033329 H\n-0.005302 0.314402 0.805349 C\n0.766112 0.225301 0.200238 C\n0.934072 0.093641 0.000680 C\n0.545604 0.493984 0.200651 O\n0.839744 0.032462 0.368421 O\n0.797180 0.592829 0.764000 O\n0.263003 0.209926 0.679741 O\n","nsites":10,"nelements":4,"elements":["Cd","H","C","O"],"chemical_system":"C-Cd-H-O","density":3.6005708591301664,"density_atomic":0.1011073875072018,"volume":98.90474125135226,"volume_molar":5.956182736470219,"formula_full":"Cd1 H2 C3 O4","formula_reduced":"CdH2C3O4","formula_anonymous":"AB2C3D4","energy_above_hull":3.623754375,"spacegroup":1},{"id":"jvasp-103956","created_at":"2022-09-04T14:36:57.677084Z","updated_at":"2022-09-04T14:36:57.677100Z","structure_string":"Cd1 H2 C3 O4\n1.0\n3.729897 0.079818 0.210827\n0.672816 4.112974 0.463634\n0.135189 0.032914 6.479795\nCd H C O\n1 2 3 4\ndirect\n0.500886 0.545945 0.507875 Cd\n0.881882 0.760228 0.958541 H\n0.319199 0.741664 0.032359 H\n0.128709 0.136642 0.804276 C\n0.899896 0.047679 0.199164 C\n0.067894 0.915981 -0.000367 C\n0.679383 0.316313 0.199526 O\n0.973514 0.854930 0.367392 O\n0.931376 0.415091 0.762818 O\n0.397043 0.032081 0.678749 O\n","nsites":10,"nelements":4,"elements":["Cd","H","C","O"],"chemical_system":"C-Cd-H-O","density":3.6009662741369404,"density_atomic":0.10111849112934403,"volume":98.89388071671944,"volume_molar":5.955528699787342,"formula_full":"Cd1 H2 C3 O4","formula_reduced":"CdH2C3O4","formula_anonymous":"AB2C3D4","energy_above_hull":3.623754375,"spacegroup":1},{"id":"jvasp-103957","created_at":"2022-09-04T14:36:57.620850Z","updated_at":"2022-09-04T14:36:57.620881Z","structure_string":"Cd1 H2 C3 O4\n1.0\n3.729745 0.077944 0.213684\n0.675204 4.112522 0.465287\n0.131566 0.031596 6.480605\nCd H C O\n1 2 3 4\ndirect\n0.267528 0.674722 0.501601 Cd\n0.085709 0.870299 0.026024 H\n0.648329 0.889046 0.952280 H\n0.666477 0.176425 0.192871 C\n0.895225 0.265397 0.797987 C\n0.834432 0.044709 0.993332 C\n0.697855 0.543876 0.756591 O\n0.163540 0.160853 0.672409 O\n0.445990 0.445106 0.193259 O\n0.740119 -0.016354 0.361073 O\n","nsites":10,"nelements":4,"elements":["Cd","H","C","O"],"chemical_system":"C-Cd-H-O","density":3.600685038982674,"density_atomic":0.10111059378394087,"volume":98.90160492350184,"volume_molar":5.955993862392372,"formula_full":"Cd1 H2 C3 O4","formula_reduced":"CdH2C3O4","formula_anonymous":"AB2C3D4","energy_above_hull":3.6237533750000006,"spacegroup":1},{"id":"jvasp-36536","created_at":"2022-09-04T14:37:16.504245Z","updated_at":"2022-09-04T14:37:16.504277Z","structure_string":"Zr4 N2\n1.0\n5.425948 -0.000000 0.000000\n0.000000 5.425948 0.000000\n0.000000 0.000000 3.309769\nZr N\n4 2\ndirect\n0.295827 0.295827 0.000000 Zr\n0.704173 0.704173 0.000000 Zr\n0.204173 0.795828 0.500000 Zr\n0.795828 0.204173 0.500000 Zr\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.500000 N\n","nsites":6,"nelements":2,"elements":["Zr","N"],"chemical_system":"N-Zr","density":6.695647441310887,"density_atomic":0.0615747010148026,"volume":97.44261687210785,"volume_molar":9.780219247109738,"formula_full":"Zr4 N2","formula_reduced":"Zr2N","formula_anonymous":"AB2","energy_above_hull":3.623644083333334,"spacegroup":136},{"id":"jvasp-21451","created_at":"2022-09-04T14:38:31.132166Z","updated_at":"2022-09-04T14:38:31.132192Z","structure_string":"Sr2 B4 Ir4\n1.0\n5.433096 0.006193 -1.492458\n-2.842905 4.629953 -1.492458\n-0.007826 -0.014008 6.188154\nSr B Ir\n2 4 4\ndirect\n0.875000 0.124999 0.249999 Sr\n0.125000 0.874999 0.749999 Sr\n0.549397 0.450602 0.249999 B\n0.799397 0.200602 0.749999 B\n0.200603 0.799396 0.249999 B\n0.450603 0.549396 0.749999 B\n0.506350 0.756349 0.512699 Ir\n0.756350 0.506349 0.012699 Ir\n0.493650 0.243649 0.487299 Ir\n0.243650 0.493649 0.987299 Ir\n","nsites":10,"nelements":3,"elements":["Sr","B","Ir"],"chemical_system":"B-Ir-Sr","density":10.540606231643231,"density_atomic":0.0642901563420391,"volume":155.54480761872148,"volume_molar":9.367127259670612,"formula_full":"Sr2 B4 Ir4","formula_reduced":"Sr(BIr)2","formula_anonymous":"AB2C2","energy_above_hull":3.6233727353333336,"spacegroup":70},{"id":"jvasp-39974","created_at":"2022-09-04T14:37:50.522046Z","updated_at":"2022-09-04T14:37:50.522070Z","structure_string":"Mg1 Ta1 Ir2\n1.0\n-0.000000 3.161425 3.161425\n3.161425 0.000000 3.161425\n3.161425 3.161425 -0.000000\nMg Ta Ir\n1 1 2\ndirect\n0.250001 0.250001 0.250001 Mg\n0.750001 0.750001 0.750001 Ta\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 Ir\n","nsites":4,"nelements":3,"elements":["Mg","Ta","Ir"],"chemical_system":"Ir-Mg-Ta","density":15.495012008161039,"density_atomic":0.0632967404146981,"volume":63.19440738643727,"volume_molar":9.514140413147723,"formula_full":"Mg1 Ta1 Ir2","formula_reduced":"MgTaIr2","formula_anonymous":"ABC2","energy_above_hull":3.6233601125,"spacegroup":225},{"id":"jvasp-36518","created_at":"2022-09-04T14:37:35.265762Z","updated_at":"2022-09-04T14:37:35.265794Z","structure_string":"Mn2 Si1 Rh1\n1.0\n-0.000003 2.888628 2.888625\n2.888628 -0.000002 2.888625\n2.888631 2.888630 -0.000004\nMn Si Rh\n2 1 1\ndirect\n1.000000 0.000001 0.000001 Mn\n0.500001 0.500000 0.499999 Mn\n0.250000 0.250000 0.250000 Si\n0.750001 0.750001 0.750000 Rh\n","nsites":4,"nelements":3,"elements":["Mn","Si","Rh"],"chemical_system":"Mn-Rh-Si","density":8.297000501375582,"density_atomic":0.08297639153998398,"volume":48.20648290149509,"volume_molar":7.257655639433416,"formula_full":"Mn2 Si1 Rh1","formula_reduced":"Mn2SiRh","formula_anonymous":"ABC2","energy_above_hull":3.6229315206896544,"spacegroup":225},{"id":"jvasp-112308","created_at":"2022-09-04T14:38:26.469303Z","updated_at":"2022-09-04T14:38:26.469328Z","structure_string":"Ti6 Al16 Ir7\n1.0\n7.439956 -0.000000 4.295461\n2.479985 7.014458 4.295461\n0.000000 0.000000 8.590922\nTi Al Ir\n6 16 7\ndirect\n0.674656 0.674656 0.325344 Ti\n0.325345 0.674656 0.325344 Ti\n0.674656 0.325345 0.325344 Ti\n0.325345 0.325345 0.674655 Ti\n0.674656 0.325345 0.674655 Ti\n0.325345 0.674656 0.674655 Ti\n0.342688 0.342688 0.342687 Al\n0.971937 0.342688 0.342687 Al\n0.342688 0.971937 0.342687 Al\n0.342688 0.342688 0.971936 Al\n0.657313 0.657312 0.657312 Al\n0.028064 0.657312 0.657312 Al\n0.657313 0.028063 0.657312 Al\n0.657313 0.657312 0.028063 Al\n0.638811 0.120397 0.120397 Al\n0.120397 0.638810 0.120397 Al\n0.120397 0.120397 0.638810 Al\n0.879604 0.879603 0.879602 Al\n0.361190 0.879603 0.879602 Al\n0.879604 0.361190 0.879602 Al\n0.879604 0.879603 0.361189 Al\n0.120397 0.120397 0.120397 Al\n0.000000 0.500000 -0.000000 Ir\n0.000000 0.000000 0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n0.500000 0.000000 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n0.500001 0.500000 -0.000000 Ir\n0.500000 0.000000 -0.000000 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0.893735 O\n0.000000 0.000000 0.162040 O\n0.000000 0.000000 0.662040 O\n0.514675 0.485324 0.128657 O\n0.029350 0.514675 0.628657 O\n0.166788 0.833211 0.351590 O\n0.166788 0.333575 0.351590 O\n0.333575 0.166788 0.851590 O\n0.833211 0.166788 0.851590 O\n0.485324 0.970649 0.628657 O\n0.666423 0.833211 0.351590 O\n0.833211 0.666423 0.851590 O\n0.514675 0.029350 0.128657 O\n0.666666 0.333332 0.393735 O\n","nsites":26,"nelements":3,"elements":["Zn","W","O"],"chemical_system":"O-W-Zn","density":8.677509430251996,"density_atomic":0.08383506714181657,"volume":310.1327509646773,"volume_molar":7.183319540751203,"formula_full":"Zn4 W6 O16","formula_reduced":"Zn2W3O8","formula_anonymous":"A2B3C8","energy_above_hull":3.622359138461539,"spacegroup":186}]}