{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-nelements&page=476","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-nelements&page=474","results":[{"id":"jvasp-11771","created_at":"2022-09-04T14:37:08.116402Z","updated_at":"2022-09-04T14:37:08.116424Z","structure_string":"Ba2 U1 Ni1 O6\n1.0\n5.131517 0.000000 2.962682\n1.710506 4.838041 2.962682\n0.000000 0.000000 5.925365\nBa U Ni O\n2 1 1 6\ndirect\n0.249999 0.250001 0.249999 Ba\n0.750000 0.750001 0.749999 Ba\n0.000000 0.000000 0.000000 U\n0.500001 0.500000 0.500000 Ni\n0.249685 0.750315 0.750314 O\n0.249685 0.750315 0.249684 O\n0.750314 0.249686 0.750314 O\n0.249686 0.249686 0.750314 O\n0.750314 0.249686 0.249685 O\n0.750317 0.750315 0.249683 O\n","nsites":10,"nelements":4,"elements":["Ba","U","Ni","O"],"chemical_system":"Ba-Ni-O-U","density":7.533332159797216,"density_atomic":0.06797818669242775,"volume":147.10601277503514,"volume_molar":8.8589311557362,"formula_full":"Ba2 U1 Ni1 O6","formula_reduced":"Ba2UNiO6","formula_anonymous":"ABC2D6","energy_above_hull":2.227789134,"spacegroup":225},{"id":"jvasp-21390","created_at":"2022-09-04T14:37:30.880201Z","updated_at":"2022-09-04T14:37:30.880228Z","structure_string":"Mg4 Al4 P4 O20\n1.0\n0.000000 5.475246 0.002025\n10.410175 0.000000 0.000000\n0.000000 -1.061671 -7.084746\nMg Al P O\n4 4 4 20\ndirect\n0.884885 0.858221 0.984623 Mg\n0.615116 0.358221 0.015377 Mg\n0.115115 0.141779 0.015377 Mg\n0.384885 0.641779 0.984623 Mg\n0.441461 0.825668 0.639806 Al\n0.058540 0.325668 0.360194 Al\n0.558540 0.174332 0.360194 Al\n0.941461 0.674332 0.639806 Al\n0.934246 0.598544 0.218497 P\n0.565755 0.098544 0.781503 P\n0.434246 0.901455 0.218497 P\n0.065755 0.401456 0.781503 P\n0.609896 0.014393 0.285144 O\n0.118016 0.323384 0.609200 O\n0.381985 0.823384 0.390800 O\n0.245482 0.717793 0.731330 O\n0.254519 0.217793 0.268670 O\n0.754519 0.282207 0.268669 O\n0.745482 0.782207 0.731330 O\n0.890105 0.514393 0.714855 O\n0.109896 0.485606 0.285144 O\n0.810662 0.045552 0.889964 O\n0.561274 0.814971 0.085590 O\n0.938727 0.314971 0.914410 O\n0.438727 0.185029 0.914410 O\n0.061274 0.685028 0.085590 O\n0.618016 0.176616 0.609200 O\n0.689339 0.545551 0.110036 O\n0.189338 0.954448 0.110036 O\n0.310662 0.454448 0.889964 O\n0.390104 0.985606 0.714856 O\n0.881985 0.676615 0.390800 O\n","nsites":32,"nelements":4,"elements":["Mg","Al","P","O"],"chemical_system":"Al-Mg-O-P","density":2.669017702018968,"density_atomic":0.07924796105251866,"volume":403.7958778370737,"volume_molar":7.5991112957581946,"formula_full":"Mg4 Al4 P4 O20","formula_reduced":"MgAlPO5","formula_anonymous":"ABCD5","energy_above_hull":1.94739935625,"spacegroup":14},{"id":"jvasp-34489","created_at":"2022-09-04T14:37:16.449025Z","updated_at":"2022-09-04T14:37:16.449060Z","structure_string":"Sr2 Fe1 W1 O6\n1.0\n5.513573 0.002492 0.005825\n2.753154 4.775366 0.011871\n2.752852 1.582761 4.507449\nSr Fe W O\n2 1 1 6\ndirect\n0.750002 0.750004 0.750000 Sr\n0.249996 0.249997 0.249999 Sr\n0.499999 0.500000 0.499999 Fe\n0.000000 0.000000 0.000000 W\n0.750091 0.249922 0.750347 O\n0.249907 0.750079 0.249652 O\n0.757578 0.742866 0.242413 O\n0.242421 0.257134 0.757586 O\n0.257000 0.757710 0.742731 O\n0.742998 0.242290 0.257268 O\n","nsites":10,"nelements":4,"elements":["Sr","Fe","W","O"],"chemical_system":"Fe-O-Sr-W","density":7.159989876078188,"density_atomic":0.08439354250735753,"volume":118.49247825007686,"volume_molar":7.135783830232013,"formula_full":"Sr2 Fe1 W1 O6","formula_reduced":"Sr2FeWO6","formula_anonymous":"ABC2D6","energy_above_hull":2.696289912,"spacegroup":87},{"id":"jvasp-104129","created_at":"2022-09-04T14:37:16.049609Z","updated_at":"2022-09-04T14:37:16.049619Z","structure_string":"H12 C20 S4 O2\n1.0\n4.617675 -0.059931 -0.211900\n-0.732955 7.979484 -2.631492\n0.041930 -0.056705 10.899187\nH C S O\n12 20 4 2\ndirect\n0.647040 0.872927 0.838568 H\n0.907156 0.013152 0.319453 H\n0.948185 0.092561 0.595130 H\n0.448186 0.092561 0.095131 H\n0.740187 0.571689 0.843069 H\n0.240187 0.571689 0.343069 H\n0.407157 0.013151 0.819453 H\n0.837837 0.343751 0.219411 H\n0.117411 0.828206 0.973410 H\n0.617410 0.828206 0.473410 H\n0.147041 0.872927 0.338568 H\n0.337837 0.343750 0.719411 H\n0.834913 0.071780 0.782074 C\n0.341413 0.440016 0.017900 C\n0.841412 0.440016 0.517900 C\n0.084341 0.941741 0.272139 C\n0.584340 0.941741 0.772139 C\n0.199924 0.314446 0.901175 C\n0.699924 0.314446 0.401175 C\n0.941912 0.810884 0.151904 C\n0.441912 0.810883 0.651905 C\n0.334914 0.071781 0.282074 C\n0.696780 0.276047 0.267749 C\n0.080523 0.569060 0.528618 C\n0.196780 0.276047 0.767749 C\n0.960443 0.765923 0.019201 C\n0.460443 0.765922 0.519201 C\n0.986848 0.138162 0.700190 C\n0.486847 0.138162 0.200190 C\n0.754948 0.627220 0.948329 C\n0.254949 0.627220 0.448329 C\n0.580522 0.569060 0.028617 C\n0.174592 0.683257 0.690177 S\n0.674591 0.683257 0.190177 S\n0.448234 0.178124 0.442465 S\n0.948234 0.178124 0.942465 S\n0.745287 0.435345 0.623787 O\n0.245287 0.435345 0.123787 O\n","nsites":38,"nelements":4,"elements":["H","C","S","O"],"chemical_system":"C-H-O-S","density":1.7105771422349616,"density_atomic":0.09488149949157997,"volume":400.4995726629744,"volume_molar":6.347012633937578,"formula_full":"H12 C20 S4 O2","formula_reduced":"H6C10S2O","formula_anonymous":"AB2C6D10","energy_above_hull":5.440050710526315,"spacegroup":1},{"id":"jvasp-9505","created_at":"2022-09-04T14:37:15.413991Z","updated_at":"2022-09-04T14:37:15.414016Z","structure_string":"Sr4 Fe2 S2 O6\n1.0\n3.971774 0.000000 0.000000\n0.000000 3.971774 0.000000\n0.000000 -0.000000 13.475236\nSr Fe S O\n4 2 2 6\ndirect\n0.000000 0.500000 0.860608 Sr\n0.500000 0.000000 0.139393 Sr\n0.000000 0.500000 0.600394 Sr\n0.500000 0.000000 0.399606 Sr\n0.500000 0.000000 0.724800 Fe\n0.000000 0.500000 0.275200 Fe\n0.500000 0.000000 0.905177 S\n0.000000 0.500000 0.094823 S\n0.500000 0.500000 0.727263 O\n0.000000 0.000000 0.727263 O\n0.000000 0.000000 0.272737 O\n0.500000 0.500000 0.272737 O\n0.500000 0.000000 0.583545 O\n0.000000 0.500000 0.416455 O\n","nsites":14,"nelements":4,"elements":["Sr","Fe","S","O"],"chemical_system":"Fe-O-S-Sr","density":4.861171566982596,"density_atomic":0.0658601322826131,"volume":212.571695725184,"volume_molar":9.14383338034963,"formula_full":"Sr4 Fe2 S2 O6","formula_reduced":"Sr2FeSO3","formula_anonymous":"ABC2D3","energy_above_hull":1.5459583742857144,"spacegroup":129},{"id":"jvasp-21430","created_at":"2022-09-04T14:37:30.892977Z","updated_at":"2022-09-04T14:37:30.892998Z","structure_string":"Ca4 Be8 P8 O32\n1.0\n0.000000 7.845017 0.002359\n8.839444 0.000000 0.000000\n0.000000 -0.068576 -8.319258\nCa Be P O\n4 8 8 32\ndirect\n0.243722 0.586278 0.884149 Ca\n0.756277 0.086278 0.615851 Ca\n0.756278 0.413722 0.115851 Ca\n0.243722 0.913722 0.384149 Ca\n0.570364 0.804584 0.053934 Be\n0.069937 0.922831 0.765016 Be\n0.930063 0.422831 0.734984 Be\n0.930063 0.077169 0.234984 Be\n0.069937 0.577168 0.265016 Be\n0.429636 0.304585 0.446066 Be\n0.429636 0.195415 0.946066 Be\n0.570364 0.695415 0.553934 Be\n0.439005 0.581127 0.260658 P\n0.560995 0.081127 0.239342 P\n0.439004 0.918872 0.760659 P\n0.560995 0.418872 0.739342 P\n0.061380 0.301950 0.443057 P\n0.061379 0.198050 0.943057 P\n0.938620 0.698050 0.556943 P\n0.938621 0.801949 0.056943 P\n0.997248 0.410573 0.308326 O\n0.997248 0.089427 0.808326 O\n0.002752 0.589427 0.691674 O\n0.563654 0.631833 0.126954 O\n0.436346 0.131833 0.373046 O\n0.436346 0.368167 0.873046 O\n0.942463 0.636000 0.120288 O\n0.057537 0.136000 0.379712 O\n0.057537 0.364000 0.879713 O\n0.942463 0.864000 0.620288 O\n0.434347 0.692576 0.402634 O\n0.565653 0.192576 0.097366 O\n0.002752 0.910573 0.191674 O\n0.563654 0.868166 0.626955 O\n0.495207 0.575523 0.687936 O\n0.239503 0.154490 0.001180 O\n0.504793 0.424477 0.312065 O\n0.495207 0.924477 0.187935 O\n0.069041 0.690414 0.418427 O\n0.930959 0.190414 0.081573 O\n0.930959 0.309586 0.581574 O\n0.069040 0.809585 0.918427 O\n0.760497 0.845510 -0.001181 O\n0.239503 0.345510 0.501181 O\n0.565653 0.307424 0.597366 O\n0.760497 0.654490 0.498820 O\n0.741239 0.422604 0.818681 O\n0.741239 0.077396 0.318681 O\n0.258761 0.577396 0.181319 O\n0.258761 0.922604 0.681319 O\n0.504793 0.075523 0.812065 O\n0.434347 0.807424 0.902634 O\n","nsites":52,"nelements":4,"elements":["Ca","Be","P","O"],"chemical_system":"Be-Ca-O-P","density":2.855862972167737,"density_atomic":0.09013656202815966,"volume":576.9024115181431,"volume_molar":6.6811298595109685,"formula_full":"Ca4 Be8 P8 O32","formula_reduced":"CaBe2(PO4)2","formula_anonymous":"AB2C2D8","energy_above_hull":2.471248586153846,"spacegroup":14},{"id":"jvasp-34797","created_at":"2022-09-04T14:37:08.220105Z","updated_at":"2022-09-04T14:37:08.220129Z","structure_string":"Ga2 H8 N2 F8\n1.0\n4.954401 0.000000 -1.884499\n-0.716805 4.902273 -1.884499\n-0.008341 -0.009650 7.432950\nGa H N F\n2 8 2 8\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 -0.000000 Ga\n0.314384 0.591094 0.405478 H\n0.814384 0.314383 0.405478 H\n0.591095 0.091095 0.405478 H\n0.091096 0.814383 0.405478 H\n0.185617 0.685616 0.594522 H\n0.685617 0.408905 0.594521 H\n0.908905 0.185616 0.594521 H\n0.408906 0.908905 0.594521 H\n0.250001 0.750000 0.500000 N\n0.750000 0.250000 0.500000 N\n0.681214 0.181213 -0.000000 F\n0.854659 0.854657 0.709317 F\n0.354658 0.354658 0.709317 F\n0.145342 0.145342 0.290683 F\n0.181214 0.318786 -0.000000 F\n0.818787 0.681213 -0.000000 F\n0.318787 0.818786 -0.000000 F\n0.645343 0.645342 0.290683 F\n","nsites":20,"nelements":4,"elements":["Ga","H","N","F"],"chemical_system":"F-Ga-H-N","density":3.0154885905511346,"density_atomic":0.11089547608047319,"volume":180.35000801553582,"volume_molar":5.430465671683425,"formula_full":"Ga2 H8 N2 F8","formula_reduced":"GaH4NF4","formula_anonymous":"ABC4D4","energy_above_hull":1.5633206705000002,"spacegroup":140},{"id":"jvasp-11209","created_at":"2022-09-04T14:37:15.840086Z","updated_at":"2022-09-04T14:37:15.840105Z","structure_string":"Zr2 Ag1 Pd1 F11\n1.0\n5.529572 0.020986 2.076626\n1.039794 5.430970 2.076626\n0.029196 0.024230 7.902308\nZr Ag Pd F\n2 1 1 11\ndirect\n0.493000 0.493001 0.236560 Zr\n0.506999 0.506999 0.763441 Zr\n0.000000 0.000000 0.000000 Ag\n0.000000 -0.000000 0.500000 Pd\n0.804121 0.233566 0.691474 F\n0.766435 0.195880 0.308527 F\n0.195879 0.766435 0.308527 F\n0.233565 0.804121 0.691474 F\n0.500000 0.500000 0.500001 F\n0.336084 0.663915 0.000001 F\n0.663915 0.336085 0.000000 F\n0.255264 0.255264 0.343709 F\n0.744735 0.744736 0.656292 F\n0.275394 0.275394 0.892096 F\n0.724605 0.724607 0.107905 F\n","nsites":15,"nelements":4,"elements":["Zr","Ag","Pd","F"],"chemical_system":"Ag-F-Pd-Zr","density":4.251365563893481,"density_atomic":0.06340152102562618,"volume":236.58738398306198,"volume_molar":9.498416855907792,"formula_full":"Zr2 Ag1 Pd1 F11","formula_reduced":"Zr2AgPdF11","formula_anonymous":"ABC2D11","energy_above_hull":0.4977863378333339,"spacegroup":12},{"id":"jvasp-9791","created_at":"2022-09-04T14:37:17.146909Z","updated_at":"2022-09-04T14:37:17.146931Z","structure_string":"Ba2 Y1 Ru1 O6\n1.0\n5.143516 0.000000 2.969610\n1.714505 4.849354 2.969610\n0.000000 0.000000 5.939221\nBa Y Ru O\n2 1 1 6\ndirect\n0.750001 0.749999 0.749999 Ba\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Y\n0.500001 0.500000 0.500000 Ru\n0.265292 0.734709 0.734709 O\n0.265292 0.734709 0.265290 O\n0.734710 0.265290 0.734709 O\n0.265291 0.265290 0.734709 O\n0.734710 0.265290 0.265290 O\n0.734711 0.734709 0.265290 O\n","nsites":10,"nelements":4,"elements":["Ba","Y","Ru","O"],"chemical_system":"Ba-O-Ru-Y","density":6.284186374503844,"density_atomic":0.06750353720043324,"volume":148.14038515208088,"volume_molar":8.92122251626445,"formula_full":"Ba2 Y1 Ru1 O6","formula_reduced":"Ba2YRuO6","formula_anonymous":"ABC2D6","energy_above_hull":2.290446889,"spacegroup":225},{"id":"jvasp-21955","created_at":"2022-09-04T14:37:32.145542Z","updated_at":"2022-09-04T14:37:32.145562Z","structure_string":"Cs2 Na1 In1 F6\n1.0\n5.464061 0.000000 3.154677\n1.821354 5.151566 3.154677\n0.000000 -0.000000 6.309354\nCs Na In F\n2 1 1 6\ndirect\n0.749999 0.750001 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.499999 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 In\n0.237109 0.762891 0.762890 F\n0.237109 0.762891 0.237110 F\n0.762890 0.237110 0.762890 F\n0.237109 0.237110 0.762890 F\n0.762890 0.237110 0.237110 F\n0.762889 0.762891 0.237110 F\n","nsites":10,"nelements":4,"elements":["Cs","Na","In","F"],"chemical_system":"Cs-F-In-Na","density":4.83962032006522,"density_atomic":0.05630672883677817,"volume":177.59866727452734,"volume_molar":10.695241731156093,"formula_full":"Cs2 Na1 In1 F6","formula_reduced":"Cs2NaInF6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-57826","created_at":"2022-09-04T14:37:08.744040Z","updated_at":"2022-09-04T14:37:08.744062Z","structure_string":"Ca6 Cu2 Rh2 O12\n1.0\n6.477633 0.007741 -0.082879\n-0.147145 6.475966 -0.082879\n0.048371 0.049542 6.435624\nCa Cu Rh O\n6 2 2 12\ndirect\n0.614186 0.761763 0.876254 Ca\n0.761763 0.614186 0.376254 Ca\n0.100632 0.899369 0.749999 Ca\n0.385814 0.238237 0.123745 Ca\n0.899368 0.100631 0.250000 Ca\n0.238237 0.385814 0.623745 Ca\n0.307293 0.692707 0.250000 Cu\n0.692707 0.307293 0.749999 Cu\n0.500000 -0.000000 0.500000 Rh\n0.000000 0.500000 -0.000000 Rh\n0.603270 0.292579 0.455111 O\n0.530098 0.896920 0.206250 O\n0.208506 0.077413 0.432784 O\n0.103080 0.469902 0.293749 O\n0.396730 0.707422 0.544888 O\n0.791494 0.922588 0.567215 O\n0.077413 0.208506 0.932783 O\n0.922587 0.791494 0.067216 O\n0.469902 0.103080 0.793749 O\n0.292579 0.603270 0.955111 O\n0.707421 0.396730 0.044889 O\n0.896920 0.530098 0.706250 O\n","nsites":22,"nelements":4,"elements":["Ca","Cu","Rh","O"],"chemical_system":"Ca-Cu-O-Rh","density":4.706609843086591,"density_atomic":0.08147302939070387,"volume":270.02801006083877,"volume_molar":7.391575844223032,"formula_full":"Ca6 Cu2 Rh2 O12","formula_reduced":"Ca3CuRhO6","formula_anonymous":"ABC3D6","energy_above_hull":1.5206914281818178,"spacegroup":15},{"id":"jvasp-57852","created_at":"2022-09-04T14:37:15.858509Z","updated_at":"2022-09-04T14:37:15.858529Z","structure_string":"K2 Na2 S2 O8\n1.0\n2.798037 -4.846343 -0.000000\n2.798037 4.846343 0.000000\n0.000000 0.000000 7.159086\nK Na S O\n2 2 2 8\ndirect\n0.333334 0.666667 0.663776 K\n0.000000 0.000000 0.997096 K\n0.000000 0.000000 0.498401 Na\n0.666667 0.333334 0.299642 Na\n0.333334 0.666667 0.224350 S\n0.666667 0.333334 0.772350 S\n0.189106 0.378211 0.298494 O\n0.810686 0.621372 0.699206 O\n0.333334 0.666667 0.020161 O\n0.810685 0.189316 0.699206 O\n0.189106 0.810895 0.298494 O\n0.666667 0.333334 0.978127 O\n0.378629 0.189315 0.699206 O\n0.621790 0.810895 0.298494 O\n","nsites":14,"nelements":4,"elements":["K","Na","S","O"],"chemical_system":"K-Na-O-S","density":2.7051724193534175,"density_atomic":0.07210624158878727,"volume":194.15794931928667,"volume_molar":8.351760717669219,"formula_full":"K2 Na2 S2 O8","formula_reduced":"KNaSO4","formula_anonymous":"ABCD4","energy_above_hull":1.335328714285714,"spacegroup":156}]}