{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=energy_above_hull&page=4576","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=energy_above_hull&page=4574","results":[{"id":"jvasp-36557","created_at":"2022-09-04T14:37:28.856330Z","updated_at":"2022-09-04T14:37:28.856339Z","structure_string":"Cr3 N4\n1.0\n3.944866 -0.000000 -0.000000\n-0.000000 3.944866 -0.000000\n0.000000 0.000000 3.944866\nCr N\n3 4\ndirect\n0.000000 0.500000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n0.000000 0.000000 0.500000 N\n0.000000 0.500000 0.000000 N\n0.500000 0.000000 0.000000 N\n0.500000 0.500000 0.500000 N\n","nsites":7,"nelements":2,"elements":["Cr","N"],"chemical_system":"Cr-N","density":5.734811186921669,"density_atomic":0.11402531304666443,"volume":61.38987750145686,"volume_molar":5.281406907899004,"formula_full":"Cr3 N4","formula_reduced":"Cr3N4","formula_anonymous":"A3B4","energy_above_hull":5.661669314285714,"spacegroup":221},{"id":"jvasp-112055","created_at":"2022-09-04T14:38:43.039837Z","updated_at":"2022-09-04T14:38:43.039857Z","structure_string":"H14 C22 S2 N2 O2\n1.0\n3.816128 -0.006858 0.305261\n0.562246 9.661233 3.580738\n0.009086 0.033981 11.075707\nH C S N O\n14 22 2 2 2\ndirect\n0.178533 0.227534 0.666049 H\n0.103380 0.832839 0.432324 H\n0.624469 0.082110 0.723569 H\n0.625694 0.582376 0.723478 H\n0.542484 0.186216 0.492372 H\n0.543803 0.686479 0.492279 H\n0.930090 0.644470 0.891256 H\n0.102098 0.332549 0.432397 H\n0.507321 0.370559 0.057361 H\n0.507096 0.870467 0.057354 H\n0.458518 0.274413 0.306746 H\n0.458068 0.774265 0.306733 H\n0.179644 0.727760 0.665980 H\n0.929822 0.144497 0.891260 H\n0.914094 0.899584 0.711494 C\n0.825103 0.519883 0.441816 C\n0.825132 0.019916 0.441822 C\n0.962118 0.358144 0.852213 C\n0.040177 0.828684 0.628344 C\n0.039611 0.328568 0.628377 C\n0.998068 0.388613 0.495745 C\n0.998700 0.888763 0.495711 C\n0.914167 0.399601 0.711487 C\n0.962021 0.858133 0.852220 C\n0.683446 0.085984 0.528402 C\n0.792441 0.593645 0.304189 C\n0.730308 0.028311 0.658759 C\n0.730985 0.528452 0.658708 C\n0.792533 0.093705 0.304196 C\n0.842637 0.189029 0.062627 C\n0.842656 0.688990 0.062624 C\n0.611186 0.220364 0.250321 C\n0.610975 0.720275 0.250311 C\n0.636455 0.273788 0.115201 C\n0.636317 0.773717 0.115192 C\n0.684112 0.586113 0.528352 C\n0.999054 0.539949 0.181802 S\n0.998980 0.039972 0.181805 S\n0.929389 0.221569 0.930042 N\n0.929487 0.721547 0.930042 N\n0.003414 0.450188 0.898188 O\n0.003092 0.950197 0.898195 O\n","nsites":42,"nelements":5,"elements":["H","C","S","N","O"],"chemical_system":"C-H-N-O-S","density":1.6385025372191964,"density_atomic":0.1029659319089469,"volume":407.90190717781036,"volume_molar":5.848673098326734,"formula_full":"H14 C22 S2 N2 O2","formula_reduced":"H7C11SNO","formula_anonymous":"ABCD7E11","energy_above_hull":5.661766035714286,"spacegroup":1},{"id":"jvasp-116643","created_at":"2022-09-04T14:38:50.822553Z","updated_at":"2022-09-04T14:38:50.822588Z","structure_string":"Ta4 Cr6 Si2\n1.0\n4.849898 0.000000 0.000000\n-2.424949 4.200135 0.000000\n-0.000000 -0.000000 8.087034\nTa Cr Si\n4 6 2\ndirect\n0.333334 0.666667 0.435003 Ta\n0.666667 0.333334 0.564996 Ta\n0.666667 0.333334 0.935003 Ta\n0.333334 0.666667 0.064997 Ta\n0.827613 0.172387 0.250000 Cr\n0.827614 0.655228 0.250000 Cr\n0.344773 0.172387 0.250000 Cr\n0.172388 0.827614 0.750000 Cr\n0.172387 0.344774 0.750000 Cr\n0.655227 0.827614 0.750000 Cr\n0.000000 0.000000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n","nsites":12,"nelements":3,"elements":["Ta","Cr","Si"],"chemical_system":"Cr-Si-Ta","density":11.006833559435508,"density_atomic":0.07284439195443684,"volume":164.73471296878742,"volume_molar":8.267130246301962,"formula_full":"Ta4 Cr6 Si2","formula_reduced":"Ta2Cr3Si","formula_anonymous":"AB2C3","energy_above_hull":5.661963199999999,"spacegroup":194},{"id":"jvasp-104109","created_at":"2022-09-04T14:36:46.900095Z","updated_at":"2022-09-04T14:36:46.900120Z","structure_string":"H12 C20 N4\n1.0\n7.154170 0.000000 -0.000478\n0.000000 3.726108 0.000000\n0.000583 0.000000 12.143897\nH C N\n12 20 4\ndirect\n0.760943 0.171825 0.306340 H\n0.959368 0.536881 0.371852 H\n0.260930 0.671868 0.274367 H\n0.260929 0.328133 0.774367 H\n0.562494 0.536838 0.371849 H\n0.562494 0.463163 0.871849 H\n0.959368 0.463120 0.871852 H\n0.459381 0.036752 0.208858 H\n0.062498 0.963283 0.708865 H\n0.062498 0.036717 0.208865 H\n0.760943 0.828176 0.806340 H\n0.459381 0.963248 0.708859 H\n0.422939 0.299392 0.511382 C\n0.098926 0.299421 0.511386 C\n0.098926 0.700580 0.011386 C\n0.093365 0.468746 0.408302 C\n0.093365 0.531255 0.908303 C\n0.260929 0.549136 0.355839 C\n0.260929 0.450865 0.855839 C\n0.428497 0.468711 0.408298 C\n0.428497 0.531289 0.908298 C\n0.422939 0.700609 0.011382 C\n0.760942 0.951048 0.724888 C\n0.922942 0.799134 0.069353 C\n0.928503 0.031496 0.672429 C\n0.928503 0.968504 0.172429 C\n0.760942 0.048953 0.224888 C\n0.593375 0.031486 0.672428 C\n0.593376 0.968515 0.172428 C\n0.598928 0.200864 0.569353 C\n0.598928 0.799137 0.069353 C\n0.922942 0.200866 0.569353 C\n0.260934 0.782798 0.061735 N\n0.760933 0.716917 0.019005 N\n0.760933 0.283083 0.519005 N\n0.260934 0.217203 0.561735 N\n","nsites":36,"nelements":3,"elements":["H","C","N"],"chemical_system":"C-H-N","density":1.5816146292116224,"density_atomic":0.1112063866885928,"volume":323.722414440184,"volume_molar":5.415283185905125,"formula_full":"H12 C20 N4","formula_reduced":"H3C5N","formula_anonymous":"AB3C5","energy_above_hull":5.663322583333334,"spacegroup":62},{"id":"jvasp-123511","created_at":"2022-09-04T14:38:54.487095Z","updated_at":"2022-09-04T14:38:54.487166Z","structure_string":"U3 Pa1\n1.0\n2.894029 0.000000 0.000000\n0.000000 5.901662 0.000000\n0.000000 0.000000 5.049653\nU Pa\n3 1\ndirect\n0.500000 0.404416 0.250000 U\n0.500000 0.599908 0.749999 U\n0.000000 0.891954 0.250000 U\n0.000000 0.103721 0.749999 Pa\n","nsites":4,"nelements":2,"elements":["U","Pa"],"chemical_system":"Pa-U","density":18.196945868387278,"density_atomic":0.04637898545645785,"volume":86.24595731520118,"volume_molar":12.98463237332733,"formula_full":"U3 Pa1","formula_reduced":"U3Pa","formula_anonymous":"AB3","energy_above_hull":5.664622775000001,"spacegroup":25},{"id":"jvasp-63242","created_at":"2022-09-04T14:35:50.492227Z","updated_at":"2022-09-04T14:35:50.492253Z","structure_string":"B8 Mo8 Os4\n1.0\n3.085899 0.000000 0.000000\n0.000000 7.614464 0.000000\n0.000000 0.000000 9.647090\nB Mo Os\n8 8 4\ndirect\n0.000000 0.388133 0.040414 B\n0.000000 0.611867 0.959586 B\n0.500000 0.888132 0.459586 B\n0.500000 0.111867 0.540414 B\n0.000000 0.378841 0.231676 B\n0.000000 0.621159 0.768324 B\n0.500000 0.878840 0.268324 B\n0.500000 0.121159 0.731676 B\n0.500000 0.578311 0.139276 Mo\n0.500000 0.421688 0.860724 Mo\n0.000000 0.078311 0.360724 Mo\n0.000000 0.921688 0.639276 Mo\n0.000000 0.305775 0.629972 Mo\n0.500000 0.194225 0.129972 Mo\n0.000000 0.694225 0.370028 Mo\n0.500000 0.805774 0.870028 Mo\n0.500000 0.383164 0.392486 Os\n0.000000 0.883164 0.107514 Os\n0.000000 0.116836 0.892486 Os\n0.500000 0.616836 0.607514 Os\n","nsites":20,"nelements":3,"elements":["B","Mo","Os"],"chemical_system":"B-Mo-Os","density":11.830003860085275,"density_atomic":0.08822925661255063,"volume":226.68217740774887,"volume_molar":6.825559900663778,"formula_full":"B8 Mo8 Os4","formula_reduced":"B2Mo2Os","formula_anonymous":"AB2C2","energy_above_hull":5.665516393333334,"spacegroup":58},{"id":"jvasp-22148","created_at":"2022-09-04T14:38:17.559663Z","updated_at":"2022-09-04T14:38:17.559672Z","structure_string":"Nd2 B8 Os8\n1.0\n7.657784 -0.000000 0.000000\n0.000000 7.657784 -0.000000\n-0.000000 0.000000 4.006389\nNd B Os\n2 8 8\ndirect\n0.500000 0.500000 0.000000 Nd\n0.000000 0.000000 0.500000 Nd\n0.778622 0.336015 0.388860 B\n0.836015 0.721377 0.888860 B\n0.336015 0.221377 0.611140 B\n0.221377 0.663985 0.388860 B\n0.278622 0.836015 0.111140 B\n0.163985 0.278622 0.888860 B\n0.663985 0.778622 0.611140 B\n0.721377 0.163985 0.111140 B\n0.894515 0.352135 0.887294 Os\n0.352135 0.105484 0.112706 Os\n0.647864 0.894515 0.112706 Os\n0.605484 0.147864 0.612706 Os\n0.105484 0.647864 0.887294 Os\n0.147864 0.394516 0.387294 Os\n0.852135 0.605484 0.387294 Os\n0.394516 0.852135 0.612706 Os\n","nsites":18,"nelements":3,"elements":["Nd","B","Os"],"chemical_system":"B-Nd-Os","density":13.406457839020932,"density_atomic":0.07661488708922232,"volume":234.94128470147055,"volume_molar":7.86027492670828,"formula_full":"Nd2 B8 Os8","formula_reduced":"Nd(BOs)4","formula_anonymous":"AB4C4","energy_above_hull":5.667524648148149,"spacegroup":86},{"id":"jvasp-62858","created_at":"2022-09-04T14:36:10.626690Z","updated_at":"2022-09-04T14:36:10.626724Z","structure_string":"B10 Mo4\n1.0\n1.955364 -3.386789 0.000000\n1.955364 3.386789 0.000000\n0.000000 0.000000 10.245996\nB Mo\n10 4\ndirect\n0.333332 0.666666 0.339235 B\n0.666666 0.333332 0.839235 B\n0.666666 0.333332 0.660765 B\n0.333332 0.666666 0.160765 B\n0.500000 -0.000001 0.000000 B\n-0.000001 0.500000 0.000000 B\n0.499999 0.499999 0.000000 B\n0.500000 -0.000001 0.500000 B\n-0.000001 0.500000 0.500000 B\n0.499999 0.499999 0.500000 B\n0.000000 0.000000 0.367943 Mo\n0.000000 0.000000 0.867943 Mo\n0.000000 0.000000 0.632058 Mo\n0.000000 0.000000 0.132058 Mo\n","nsites":14,"nelements":2,"elements":["B","Mo"],"chemical_system":"B-Mo","density":6.018655687028882,"density_atomic":0.1031639832559481,"volume":135.70627614548613,"volume_molar":5.837444978311055,"formula_full":"B10 Mo4","formula_reduced":"B5Mo2","formula_anonymous":"A2B5","energy_above_hull":5.669013530952381,"spacegroup":194},{"id":"jvasp-75887","created_at":"2022-09-04T14:35:51.359763Z","updated_at":"2022-09-04T14:35:51.359781Z","structure_string":"As1 Os2 W1\n1.0\n-0.000000 3.133307 3.133307\n3.133307 0.000000 3.133307\n3.133307 3.133307 0.000000\nAs Os W\n1 2 1\ndirect\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 Os\n0.250000 0.250000 0.250000 Os\n0.750001 0.750001 0.750001 W\n","nsites":4,"nelements":3,"elements":["As","Os","W"],"chemical_system":"As-Os-W","density":17.252883780352466,"density_atomic":0.0650161350474445,"volume":61.52318954488857,"volume_molar":9.262532686086983,"formula_full":"As1 Os2 W1","formula_reduced":"AsOs2W","formula_anonymous":"ABC2","energy_above_hull":5.6699054375,"spacegroup":216},{"id":"jvasp-117912","created_at":"2022-09-04T14:38:53.894217Z","updated_at":"2022-09-04T14:38:53.894255Z","structure_string":"Ru1 C2 N1\n1.0\n2.578082 -0.000000 0.000000\n-0.000000 2.578082 0.000000\n-0.000000 0.000000 4.916711\nRu C N\n1 2 1\ndirect\n0.499999 0.499999 0.500000 Ru\n0.000000 0.499999 0.184912 C\n0.499999 0.000000 -0.184912 C\n0.000000 0.000000 0.000000 N\n","nsites":4,"nelements":3,"elements":["Ru","C","N"],"chemical_system":"C-N-Ru","density":7.068091456655761,"density_atomic":0.12240294201356884,"volume":32.678953088861086,"volume_molar":4.919931384763957,"formula_full":"Ru1 C2 N1","formula_reduced":"RuC2N","formula_anonymous":"ABC2","energy_above_hull":5.670658437499999,"spacegroup":115},{"id":"jvasp-38991","created_at":"2022-09-04T14:37:54.137000Z","updated_at":"2022-09-04T14:37:54.137026Z","structure_string":"Ta1 Nb1 Tc2\n1.0\n0.000000 3.189619 3.189619\n3.189619 -0.000000 3.189619\n3.189619 3.189619 0.000000\nTa Nb Tc\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Ta\n0.250000 0.250000 0.250000 Nb\n0.000000 0.000000 0.000000 Tc\n0.500000 0.500000 0.500000 Tc\n","nsites":4,"nelements":3,"elements":["Ta","Nb","Tc"],"chemical_system":"Nb-Ta-Tc","density":12.021698769976327,"density_atomic":0.061633036756661465,"volume":64.90025821367092,"volume_molar":9.770962258076812,"formula_full":"Ta1 Nb1 Tc2","formula_reduced":"TaNbTc2","formula_anonymous":"ABC2","energy_above_hull":5.6720579,"spacegroup":225},{"id":"jvasp-101992","created_at":"2022-09-04T14:36:50.385757Z","updated_at":"2022-09-04T14:36:50.385784Z","structure_string":"H18 C22\n1.0\n5.264865 0.023697 1.038434\n2.128992 5.239798 0.681064\n0.167677 0.059453 11.964686\nH C\n18 22\ndirect\n0.590070 0.853537 0.590729 H\n0.176241 0.054255 0.266168 H\n0.823760 0.945745 0.733831 H\n0.221579 0.871924 0.049655 H\n0.778422 0.128077 0.950345 H\n0.742897 0.611813 0.844474 H\n0.838896 0.226543 0.123023 H\n0.161105 0.773457 0.876977 H\n0.802644 0.712728 0.018431 H\n0.257104 0.388187 0.155526 H\n0.757087 0.890737 0.235554 H\n0.242914 0.109263 0.764446 H\n0.789271 0.407547 0.341211 H\n0.210730 0.592453 0.658789 H\n0.887844 0.945576 0.418384 H\n0.112157 0.054425 0.581616 H\n0.409931 0.146463 0.409271 H\n0.197357 0.287273 0.981569 H\n0.328761 0.319615 0.903203 C\n0.671240 0.680386 0.096796 C\n0.308338 0.589418 0.845110 C\n0.691663 0.410583 0.154889 C\n0.348874 0.769311 0.114422 C\n0.369763 0.500005 0.172125 C\n0.651127 0.230690 0.885578 C\n0.645894 0.779339 0.217144 C\n0.630238 0.499995 0.827874 C\n0.354107 0.220661 0.782856 C\n0.170146 0.553008 0.400543 C\n0.333295 0.490140 0.725089 C\n0.342527 0.601712 0.293915 C\n0.657474 0.398289 0.706085 C\n0.937448 0.749377 0.453672 C\n0.062552 0.250623 0.546328 C\n0.230632 0.302788 0.449175 C\n0.769369 0.697212 0.550825 C\n0.676848 0.130030 0.765539 C\n0.829855 0.446993 0.599456 C\n0.666706 0.509860 0.274911 C\n0.323153 0.869970 0.234461 C\n","nsites":40,"nelements":2,"elements":["H","C"],"chemical_system":"C-H","density":1.4275164956047368,"density_atomic":0.12177571247997343,"volume":328.47272403828623,"volume_molar":4.945272449947989,"formula_full":"H18 C22","formula_reduced":"H9C11","formula_anonymous":"A9B11","energy_above_hull":5.672824,"spacegroup":2}]}