{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=created_at&page=4390","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=created_at&page=4388","results":[{"id":"jvasp-117009","created_at":"2022-09-04T14:38:48.034801Z","updated_at":"2022-09-04T14:38:48.034828Z","structure_string":"Na6 Zr2 Si4 O17\n1.0\n5.352367 0.030409 0.059377\n2.515399 4.724567 0.059377\n-0.058333 -0.035254 14.044758\nNa Zr Si O\n6 2 4 17\ndirect\n0.176911 0.176911 0.111254 Na\n0.823090 0.823091 0.888746 Na\n0.500720 0.500721 0.244004 Na\n0.499281 0.499282 0.755997 Na\n0.817187 0.817188 0.385415 Na\n0.182813 0.182814 0.614585 Na\n0.500000 0.500001 0.000000 Zr\n0.500000 0.500001 0.500000 Zr\n0.153666 0.153667 0.877374 Si\n0.846334 0.846335 0.122627 Si\n0.836952 0.836953 0.629519 Si\n0.163049 0.163049 0.370481 Si\n0.295472 0.295472 0.449083 O\n0.284825 0.284826 0.956221 O\n0.715175 0.715176 0.043779 O\n0.679648 0.188798 0.616778 O\n0.188797 0.679649 0.616778 O\n0.320353 0.811204 0.383222 O\n0.811203 0.320353 0.383222 O\n0.711085 0.190430 0.105578 O\n0.235367 0.235367 0.264080 O\n0.809571 0.288917 0.894423 O\n0.288916 0.809572 0.894423 O\n0.190430 0.711085 0.105578 O\n0.704529 0.704530 0.550917 O\n0.225249 0.225250 0.770032 O\n0.774751 0.774752 0.229969 O\n0.764633 0.764635 0.735920 O\n0.000000 0.000000 0.500000 O\n","nsites":29,"nelements":4,"elements":["Na","Zr","Si","O"],"chemical_system":"Na-O-Si-Zr","density":3.304692040315904,"density_atomic":0.0818962986889362,"volume":354.1063572378242,"volume_molar":7.353373542403525,"formula_full":"Na6 Zr2 Si4 O17","formula_reduced":"Na6Zr2Si4O17","formula_anonymous":"A2B4C6D17","energy_above_hull":2.479340582758621,"spacegroup":12},{"id":"jvasp-118946","created_at":"2022-09-04T14:38:48.047355Z","updated_at":"2022-09-04T14:38:48.047369Z","structure_string":"Rb1 Te1 Au1\n1.0\n5.995646 0.000000 0.000000\n-2.997823 5.192382 -0.000000\n0.000000 -0.000000 3.068326\nRb Te Au\n1 1 1\ndirect\n0.333334 0.666667 -0.000000 Rb\n0.666668 0.333333 -0.000000 Te\n0.000000 0.000000 0.000000 Au\n","nsites":3,"nelements":3,"elements":["Rb","Te","Au"],"chemical_system":"Au-Rb-Te","density":7.127959761423792,"density_atomic":0.03140632610951517,"volume":95.52215657249671,"volume_molar":19.174929085944477,"formula_full":"Rb1 Te1 Au1","formula_reduced":"RbTeAu","formula_anonymous":"ABC","energy_above_hull":0.2704875561111112,"spacegroup":187},{"id":"jvasp-120624","created_at":"2022-09-04T14:38:48.048017Z","updated_at":"2022-09-04T14:38:48.048041Z","structure_string":"Ir4 Pb4 O14\n1.0\n6.366018 -0.000000 3.675422\n2.122006 6.001940 3.675422\n-0.000000 -0.000000 7.350845\nIr Pb O\n4 4 14\ndirect\n0.125000 0.625000 0.624999 Ir\n0.625000 0.125000 0.624999 Ir\n0.625001 0.625000 0.124999 Ir\n0.625001 0.625000 0.624999 Ir\n0.625000 0.125000 0.125000 Pb\n0.125000 0.625000 0.124999 Pb\n0.125000 0.125000 0.624999 Pb\n0.125000 0.125000 0.125000 Pb\n0.546337 0.953664 0.953662 O\n0.953664 0.546337 0.546335 O\n0.953664 0.546337 0.953662 O\n0.546337 0.953664 0.546335 O\n0.953664 0.953664 0.546335 O\n0.546337 0.546337 0.953662 O\n0.703664 0.296337 0.703663 O\n0.296337 0.703664 0.703662 O\n0.296337 0.703664 0.296336 O\n0.250000 0.250000 0.250000 O\n0.296337 0.296337 0.703663 O\n0.703664 0.703664 0.296336 O\n0.703664 0.296337 0.296336 O\n0.000000 0.000000 0.000000 O\n","nsites":22,"nelements":3,"elements":["Ir","Pb","O"],"chemical_system":"Ir-O-Pb","density":10.770095323779973,"density_atomic":0.07832959908307582,"volume":280.8644529977353,"volume_molar":7.688205774694391,"formula_full":"Ir4 Pb4 O14","formula_reduced":"Ir2Pb2O7","formula_anonymous":"A2B2C7","energy_above_hull":2.8240871218181813,"spacegroup":227},{"id":"jvasp-113443","created_at":"2022-09-04T14:38:48.049050Z","updated_at":"2022-09-04T14:38:48.049073Z","structure_string":"B1 O1\n1.0\n3.541705 0.517719 0.117604\n-1.597421 -2.038484 0.040734\n0.931538 0.862323 -2.997418\nB O\n1 1\ndirect\n0.990217 0.940971 0.110599 B\n0.490988 0.347276 -0.077699 O\n","nsites":2,"nelements":2,"elements":["B","O"],"chemical_system":"B-O","density":2.3286639030653458,"density_atomic":0.10461270112968657,"volume":19.118137457521858,"volume_molar":5.756605741911258,"formula_full":"B1 O1","formula_reduced":"BO","formula_anonymous":"AB","energy_above_hull":1.8719630416666664,"spacegroup":38},{"id":"jvasp-111326","created_at":"2022-09-04T14:38:48.056540Z","updated_at":"2022-09-04T14:38:48.056567Z","structure_string":"Zr2 As3 Se1\n1.0\n3.833027 -0.000000 0.000000\n0.000000 3.833027 0.000000\n-0.000000 -0.000000 8.117909\nZr As Se\n2 3 1\ndirect\n0.500000 0.500000 0.735204 Zr\n0.000000 0.000000 0.266689 Zr\n0.500000 0.000000 0.999303 As\n-0.000000 0.500000 0.999303 As\n0.500000 0.500000 0.378122 As\n0.000000 0.000000 0.621383 Se\n","nsites":6,"nelements":3,"elements":["Zr","As","Se"],"chemical_system":"As-Se-Zr","density":6.768802142838064,"density_atomic":0.05030640870264296,"volume":119.26909820705959,"volume_molar":11.970921628686273,"formula_full":"Zr2 As3 Se1","formula_reduced":"Zr2As3Se","formula_anonymous":"AB2C3","energy_above_hull":2.9731312694444445,"spacegroup":99},{"id":"jvasp-120338","created_at":"2022-09-04T14:38:48.060027Z","updated_at":"2022-09-04T14:38:48.060055Z","structure_string":"Mg1 Se2\n1.0\n6.905109 0.974998 0.542946\n-2.047179 -3.538861 0.157015\n-2.269070 -1.521114 -3.398516\nMg Se\n1 2\ndirect\n0.095380 0.082549 0.113397 Mg\n0.350963 0.956625 0.931666 Se\n0.839893 0.208587 0.295163 Se\n","nsites":3,"nelements":2,"elements":["Mg","Se"],"chemical_system":"Mg-Se","density":4.040147410468912,"density_atomic":0.04005543104195582,"volume":74.89621062516261,"volume_molar":15.034517425844562,"formula_full":"Mg1 Se2","formula_reduced":"MgSe2","formula_anonymous":"AB2","energy_above_hull":0.6305677888888888,"spacegroup":12},{"id":"jvasp-111334","created_at":"2022-09-04T14:38:48.063498Z","updated_at":"2022-09-04T14:38:48.063516Z","structure_string":"Ti3 Nb1\n1.0\n2.867977 0.021317 0.000000\n-1.056482 2.666382 0.000000\n-0.000000 -0.000000 8.999084\nTi Nb\n3 1\ndirect\n0.177869 0.822132 -0.000000 Ti\n0.781510 0.218492 0.753483 Ti\n0.781510 0.218492 0.246516 Ti\n0.259117 0.740884 0.500000 Nb\n","nsites":4,"nelements":2,"elements":["Ti","Nb"],"chemical_system":"Nb-Ti","density":5.6901055690710916,"density_atomic":0.057954414256414025,"volume":69.01976409083119,"volume_molar":10.391168364424473,"formula_full":"Ti3 Nb1","formula_reduced":"Ti3Nb","formula_anonymous":"AB3","energy_above_hull":4.2479711,"spacegroup":38},{"id":"jvasp-110766","created_at":"2022-09-04T14:38:48.064864Z","updated_at":"2022-09-04T14:38:48.064886Z","structure_string":"Cd6 Pt2\n1.0\n6.041019 0.000000 0.000000\n-3.020509 5.231676 0.000000\n0.000000 0.000000 4.853782\nCd Pt\n6 2\ndirect\n0.170984 0.341967 0.250000 Cd\n0.658033 0.829017 0.250000 Cd\n0.170984 0.829017 0.250000 Cd\n0.829017 0.658034 0.750000 Cd\n0.341967 0.170984 0.750000 Cd\n0.829017 0.170984 0.750000 Cd\n0.333333 0.666667 0.750000 Pt\n0.666667 0.333334 0.250000 Pt\n","nsites":8,"nelements":2,"elements":["Cd","Pt"],"chemical_system":"Cd-Pt","density":11.524394607083368,"density_atomic":0.0521505242339618,"volume":153.4021012734171,"volume_molar":11.547613084353664,"formula_full":"Cd6 Pt2","formula_reduced":"Cd3Pt","formula_anonymous":"AB3","energy_above_hull":0.0,"spacegroup":194},{"id":"jvasp-120655","created_at":"2022-09-04T14:38:48.065325Z","updated_at":"2022-09-04T14:38:48.065348Z","structure_string":"Ca2 Nd2 Cr2 O8\n1.0\n6.521770 -0.032391 0.000000\n-4.301942 4.901819 0.000000\n-0.000000 -0.000000 5.549277\nCa Nd Cr O\n2 2 2 8\ndirect\n0.604298 0.395702 0.485603 Ca\n0.395702 0.604298 0.985603 Ca\n0.888673 0.111328 0.515458 Nd\n0.111328 0.888673 0.015458 Nd\n0.250928 0.749072 0.501405 Cr\n0.749072 0.250928 0.001405 Cr\n0.482058 0.024534 0.746411 O\n0.517943 0.975467 0.246411 O\n0.024534 0.482058 0.246411 O\n0.975467 0.517943 0.746411 O\n0.417207 0.582794 0.559975 O\n0.079529 0.920472 0.444737 O\n0.582794 0.417207 0.059975 O\n0.920472 0.079528 0.944737 O\n","nsites":14,"nelements":4,"elements":["Ca","Nd","Cr","O"],"chemical_system":"Ca-Cr-Nd-O","density":5.646667579773067,"density_atomic":0.07926218118404638,"volume":176.62900251876835,"volume_molar":7.597747967617268,"formula_full":"Ca2 Nd2 Cr2 O8","formula_reduced":"CaNdCrO4","formula_anonymous":"ABCD4","energy_above_hull":2.117657617142858,"spacegroup":36},{"id":"jvasp-117124","created_at":"2022-09-04T14:38:48.066486Z","updated_at":"2022-09-04T14:38:48.066514Z","structure_string":"Li6 Mn2 Co2 O10\n1.0\n2.842634 -0.004521 0.019026\n-1.404443 6.064942 -1.180153\n-0.064321 0.010154 9.558238\nLi Mn Co O\n6 2 2 10\ndirect\n0.098079 0.196061 0.304047 Li\n0.909015 0.817604 0.701566 Li\n0.508251 0.016197 0.513670 Li\n0.286954 0.573471 0.891061 Li\n0.699849 0.399844 0.091305 Li\n0.599368 0.198470 0.793240 Li\n0.003101 0.006455 0.995533 Mn\n0.801682 0.603487 0.400945 Mn\n0.199000 0.397610 0.605695 Co\n0.398251 0.796979 0.199120 Co\n0.858534 0.717617 0.064239 O\n0.538605 0.077482 0.140938 O\n0.342277 0.684389 0.536385 O\n0.939691 0.879914 0.336113 O\n0.747538 0.494660 0.731898 O\n0.139964 0.280086 0.958296 O\n0.662499 0.324646 0.459467 O\n0.451259 0.902794 0.868995 O\n0.058214 0.116106 0.645007 O\n0.257867 0.516119 0.262486 O\n","nsites":20,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.327331964393376,"density_atomic":0.12138269923742546,"volume":164.7681269707131,"volume_molar":4.961284266895933,"formula_full":"Li6 Mn2 Co2 O10","formula_reduced":"Li3MnCoO5","formula_anonymous":"ABC3D5","energy_above_hull":2.404603564137931,"spacegroup":8},{"id":"jvasp-110896","created_at":"2022-09-04T14:38:48.071376Z","updated_at":"2022-09-04T14:38:48.071397Z","structure_string":"Y4 Br6\n1.0\n7.303120 -0.065269 4.182705\n6.291423 3.709154 4.182705\n-0.260620 -0.069857 10.663500\nY Br\n4 6\ndirect\n0.919137 0.919134 0.451650 Y\n0.080864 0.080863 0.548350 Y\n0.634042 0.634041 0.212974 Y\n0.365959 0.365957 0.787025 Y\n0.840953 0.840951 0.011971 Br\n0.159049 0.159047 0.988029 Br\n0.725910 0.725908 0.381620 Br\n0.274092 0.274090 0.618379 Br\n0.453258 0.453257 0.229667 Br\n0.546743 0.546741 0.770332 Br\n","nsites":10,"nelements":2,"elements":["Y","Br"],"chemical_system":"Br-Y","density":4.658650691449931,"density_atomic":0.03359695536478293,"volume":297.6460185580453,"volume_molar":17.92466220410121,"formula_full":"Y4 Br6","formula_reduced":"Y2Br3","formula_anonymous":"A2B3","energy_above_hull":0.8582666430000002,"spacegroup":12},{"id":"jvasp-114049","created_at":"2022-09-04T14:38:48.071501Z","updated_at":"2022-09-04T14:38:48.071531Z","structure_string":"Ba1 Sb1 I2\n1.0\n4.339007 0.000000 0.000000\n0.000000 5.226241 0.000000\n0.000000 0.000000 7.086516\nBa Sb I\n1 1 2\ndirect\n0.500001 0.500000 0.739581 Ba\n0.000000 0.000000 0.549915 Sb\n0.000000 0.000000 0.958900 I\n0.500001 0.500000 0.251603 I\n","nsites":4,"nelements":3,"elements":["Ba","Sb","I"],"chemical_system":"Ba-I-Sb","density":5.299877155178764,"density_atomic":0.024891291789304923,"volume":160.69877103440191,"volume_molar":24.193765478204483,"formula_full":"Ba1 Sb1 I2","formula_reduced":"BaSbI2","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":25}]}