{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=volume&page=3528","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=volume&page=3526","results":[{"id":"jvasp-100765","created_at":"2022-09-04T14:36:41.778398Z","updated_at":"2022-09-04T14:36:41.778418Z","structure_string":"Y6 Bi2\n1.0\n6.908728 -0.000000 0.000000\n-3.454364 5.983135 0.000000\n-0.000000 -0.000000 5.629066\nY Bi\n6 2\ndirect\n0.168374 0.336746 0.250000 Y\n0.663254 0.831626 0.250000 Y\n0.168374 0.831626 0.250000 Y\n0.831627 0.663253 0.750001 Y\n0.336746 0.168373 0.750001 Y\n0.831627 0.168373 0.750001 Y\n0.333333 0.666666 0.750001 Bi\n0.666667 0.333333 0.250000 Bi\n","nsites":8,"nelements":2,"elements":["Y","Bi"],"chemical_system":"Bi-Y","density":6.789646061881448,"density_atomic":0.03438165273519454,"volume":232.68224077578606,"volume_molar":17.515565078799938,"formula_full":"Y6 Bi2","formula_reduced":"Y3Bi","formula_anonymous":"AB3","energy_above_hull":2.3154176625,"spacegroup":194},{"id":"jvasp-12185","created_at":"2022-09-04T14:36:59.983169Z","updated_at":"2022-09-04T14:36:59.983196Z","structure_string":"Sb6 Pb2\n1.0\n6.818671 -0.000000 -0.000000\n-3.409336 5.905142 0.000000\n0.000000 0.000000 5.778827\nSb Pb\n6 2\ndirect\n0.164102 0.328205 0.249999 Sb\n0.671794 0.835897 0.249999 Sb\n0.164102 0.835897 0.249999 Sb\n0.835898 0.671796 0.749999 Sb\n0.328205 0.164102 0.749999 Sb\n0.835897 0.164102 0.749999 Sb\n0.333333 0.666667 0.749999 Pb\n0.666666 0.333333 0.249999 Pb\n","nsites":8,"nelements":2,"elements":["Sb","Pb"],"chemical_system":"Pb-Sb","density":8.170895138344843,"density_atomic":0.034381135183983336,"volume":232.68574342265606,"volume_molar":17.515828746705985,"formula_full":"Sb6 Pb2","formula_reduced":"Sb3Pb","formula_anonymous":"AB3","energy_above_hull":1.31753228,"spacegroup":194},{"id":"jvasp-9580","created_at":"2022-09-04T14:38:16.632891Z","updated_at":"2022-09-04T14:38:16.632901Z","structure_string":"Ga3 P3 O12\n1.0\n2.454006 -4.250462 -0.000000\n2.454006 4.250462 0.000000\n0.000000 0.000000 11.155161\nGa P O\n3 3 12\ndirect\n0.546761 0.546761 0.000000 Ga\n0.000001 0.453240 0.666667 Ga\n0.453240 0.000001 0.333333 Ga\n0.547647 0.547647 0.500000 P\n0.000001 0.452354 0.166667 P\n0.452354 0.000001 0.833333 P\n0.082147 0.675187 0.275425 O\n0.917855 0.593042 0.057908 O\n0.675187 0.082147 0.724575 O\n0.406960 0.324814 0.391242 O\n0.405116 0.277167 0.869844 O\n0.127950 0.722835 0.796822 O\n0.872052 0.594886 0.536511 O\n0.593042 0.917855 0.942092 O\n0.594886 0.872052 0.463489 O\n0.277167 0.405116 0.130156 O\n0.722835 0.127950 0.203178 O\n0.324814 0.406960 0.608758 O\n","nsites":18,"nelements":3,"elements":["Ga","P","O"],"chemical_system":"Ga-O-P","density":3.525587420107052,"density_atomic":0.07734903656109529,"volume":232.71136655700204,"volume_molar":7.785670032545682,"formula_full":"Ga3 P3 O12","formula_reduced":"GaPO4","formula_anonymous":"ABC4","energy_above_hull":1.886671970833334,"spacegroup":152},{"id":"jvasp-14006","created_at":"2022-09-04T14:38:05.113768Z","updated_at":"2022-09-04T14:38:05.113787Z","structure_string":"Li4 Nd2 Sb4\n1.0\n4.610315 0.000000 -0.000000\n0.000000 4.610315 0.000000\n-0.000000 -0.000000 10.948612\nLi Nd Sb\n4 2 4\ndirect\n0.500001 0.000000 0.377451 Li\n0.000000 0.500001 0.622548 Li\n0.500001 0.500001 0.000000 Li\n0.000000 0.000000 0.000000 Li\n0.500001 0.000000 0.731688 Nd\n0.000000 0.500001 0.268311 Nd\n0.000000 0.500001 0.853745 Sb\n0.500001 0.000000 0.146255 Sb\n0.500001 0.500001 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n","nsites":10,"nelements":3,"elements":["Li","Nd","Sb"],"chemical_system":"Li-Nd-Sb","density":5.731919891671802,"density_atomic":0.04297142298231814,"volume":232.71279622540766,"volume_molar":14.01429215522602,"formula_full":"Li4 Nd2 Sb4","formula_reduced":"Li2NdSb2","formula_anonymous":"AB2C2","energy_above_hull":1.17887874,"spacegroup":129},{"id":"jvasp-12373","created_at":"2022-09-04T14:38:13.413242Z","updated_at":"2022-09-04T14:38:13.413269Z","structure_string":"Cr4 Co2 S8\n1.0\n5.979248 -0.000000 3.452121\n1.993083 5.637290 3.452121\n-0.000000 -0.000000 6.904241\nCr Co S\n4 2 8\ndirect\n0.500000 0.500000 -0.000000 Cr\n-0.000000 0.500000 0.500000 Cr\n0.500000 0.000000 0.500000 Cr\n0.500000 0.500000 0.500000 Cr\n0.125000 0.125000 0.125000 Co\n0.875000 0.875000 0.875000 Co\n0.732788 0.255737 0.255737 S\n0.267212 0.744263 0.744263 S\n0.744262 0.744263 0.744263 S\n0.255737 0.255737 0.732788 S\n0.744263 0.267212 0.744262 S\n0.255737 0.732788 0.255737 S\n0.744262 0.744263 0.267212 S\n0.255737 0.255737 0.255737 S\n","nsites":14,"nelements":3,"elements":["Cr","Co","S"],"chemical_system":"Co-Cr-S","density":4.155428318448156,"density_atomic":0.06015824379620072,"volume":232.71955955742456,"volume_molar":10.0104996090001,"formula_full":"Cr4 Co2 S8","formula_reduced":"Cr2CoS4","formula_anonymous":"AB2C4","energy_above_hull":3.234917957142857,"spacegroup":227},{"id":"jvasp-66318","created_at":"2022-09-04T14:36:16.547132Z","updated_at":"2022-09-04T14:36:16.547153Z","structure_string":"Ba4 Si1 Mo1\n1.0\n0.000000 4.882071 4.882071\n4.882071 0.000000 4.882071\n4.882071 4.882071 0.000000\nBa Si Mo\n4 1 1\ndirect\n0.122752 0.625750 0.625750 Ba\n0.625750 0.625750 0.625750 Ba\n0.625750 0.122752 0.625750 Ba\n0.625750 0.625750 0.122752 Ba\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 Mo\n","nsites":6,"nelements":3,"elements":["Ba","Si","Mo"],"chemical_system":"Ba-Mo-Si","density":4.804376685776103,"density_atomic":0.025781547487957586,"volume":232.72458733528566,"volume_molar":23.358337054100062,"formula_full":"Ba4 Si1 Mo1","formula_reduced":"Ba4SiMo","formula_anonymous":"ABC4","energy_above_hull":1.6950747299999995,"spacegroup":216},{"id":"jvasp-50047","created_at":"2022-09-04T14:37:40.408446Z","updated_at":"2022-09-04T14:37:40.408473Z","structure_string":"Zr6 N4 O6\n1.0\n-4.029733 -0.005980 0.000291\n2.006661 5.373372 0.004674\n-0.000425 -0.102212 -10.754028\nZr N O\n6 4 6\ndirect\n0.179729 0.362464 0.248034 Zr\n0.140457 0.283945 0.939376 Zr\n0.134639 0.272201 0.555863 Zr\n0.805734 0.614485 0.748727 Zr\n0.853441 0.709952 0.056093 Zr\n0.861099 0.725193 0.439217 Zr\n0.294537 0.592115 0.078129 N\n0.043797 0.090333 0.384618 N\n0.702734 0.408422 0.574206 N\n0.698851 0.400740 0.919055 N\n0.305991 0.614972 0.419208 O\n0.243975 0.490953 0.750793 O\n0.041563 0.086250 0.112070 O\n0.751156 0.505326 0.255978 O\n0.952458 0.907999 0.884231 O\n0.954976 0.913031 0.619214 O\n","nsites":16,"nelements":3,"elements":["Zr","N","O"],"chemical_system":"N-O-Zr","density":4.99004500298405,"density_atomic":0.06874958600766971,"volume":232.7286741510711,"volume_molar":8.759530216412022,"formula_full":"Zr6 N4 O6","formula_reduced":"Zr3N2O3","formula_anonymous":"A2B3C3","energy_above_hull":4.085648812500001,"spacegroup":8},{"id":"jvasp-13036","created_at":"2022-09-04T14:36:52.502631Z","updated_at":"2022-09-04T14:36:52.502641Z","structure_string":"Sn4 O2 F10\n1.0\n5.406661 0.009423 -1.860374\n-2.155148 5.224994 -0.864775\n-0.046349 -0.011466 8.252104\nSn O F\n4 2 10\ndirect\n0.499999 0.499999 -0.000000 Sn\n-0.000001 0.499999 0.499999 Sn\n0.293367 0.028637 0.322005 Sn\n0.706631 0.971361 0.677994 Sn\n0.694580 0.194580 0.500000 O\n0.305418 0.805418 0.499999 O\n0.340853 0.799588 0.140442 F\n0.659145 0.200410 0.859557 F\n0.771396 0.721855 0.493252 F\n0.228603 0.278143 0.506747 F\n0.158239 0.606228 0.764468 F\n0.841759 0.393770 0.235531 F\n0.682070 0.697409 0.800356 F\n0.897053 0.881713 0.199643 F\n0.317929 0.302589 0.199643 F\n0.102946 0.118285 0.800356 F\n","nsites":16,"nelements":3,"elements":["Sn","O","F"],"chemical_system":"F-O-Sn","density":4.9716936835490655,"density_atomic":0.06874686147088149,"volume":232.73789752244878,"volume_molar":8.759877369166512,"formula_full":"Sn4 O2 F10","formula_reduced":"Sn2OF5","formula_anonymous":"AB2C5","energy_above_hull":0.0677322890625,"spacegroup":12},{"id":"jvasp-9773","created_at":"2022-09-04T14:37:09.948761Z","updated_at":"2022-09-04T14:37:09.948776Z","structure_string":"Na4 Ti2 Ge2 O10\n1.0\n6.707612 0.000000 0.000000\n0.000000 6.707612 -0.000000\n0.000000 0.000000 5.172879\nNa Ti Ge O\n4 2 2 10\ndirect\n0.250000 0.750000 0.000000 Na\n0.250000 0.250000 0.000000 Na\n0.750000 0.250000 0.000000 Na\n0.750000 0.750000 0.000000 Na\n0.000000 0.500000 0.573853 Ti\n0.500000 0.000000 0.426147 Ti\n0.000000 0.000000 0.500000 Ge\n0.500000 0.500000 0.500000 Ge\n0.500000 0.283227 0.302850 O\n0.783227 0.000000 0.302850 O\n0.216773 0.000000 0.302850 O\n0.500000 0.716773 0.302850 O\n0.716773 0.500000 0.697150 O\n0.000000 0.216773 0.697150 O\n0.283227 0.500000 0.697150 O\n0.500000 0.000000 0.759819 O\n0.000000 0.783227 0.697150 O\n0.000000 0.500000 0.240181 O\n","nsites":18,"nelements":4,"elements":["Na","Ti","Ge","O"],"chemical_system":"Ge-Na-O-Ti","density":3.5172142773760533,"density_atomic":0.07734002697808408,"volume":232.73847583607227,"volume_molar":7.786577009737144,"formula_full":"Na4 Ti2 Ge2 O10","formula_reduced":"Na2TiGeO5","formula_anonymous":"ABC2D5","energy_above_hull":1.7409177537037035,"spacegroup":129},{"id":"jvasp-98475","created_at":"2022-09-04T14:35:47.204228Z","updated_at":"2022-09-04T14:35:47.204246Z","structure_string":"Ca2 Mn2 Si4 O12\n1.0\n5.196130 -0.021263 0.999014\n1.186152 6.622948 0.601187\n-0.023994 0.025241 6.755043\nCa Mn Si O\n2 2 4 12\ndirect\n0.750001 0.302589 0.697411 Ca\n0.250000 0.697411 0.302588 Ca\n0.250000 0.095700 0.904300 Mn\n0.749999 0.904301 0.095699 Mn\n0.734105 0.805628 0.619746 Si\n0.765895 0.380255 0.194371 Si\n0.234106 0.619746 0.805628 Si\n0.265895 0.194371 0.380255 Si\n0.152404 0.786536 0.973542 O\n0.347598 0.026459 0.213464 O\n0.509603 0.326487 0.372450 O\n0.668563 0.608621 0.117800 O\n0.831435 0.882202 0.391380 O\n0.331436 0.391380 0.882201 O\n0.168564 0.117800 0.608620 O\n0.009602 0.372451 0.326487 O\n0.490398 0.673515 0.627549 O\n-0.009603 0.627550 0.673515 O\n0.847597 0.213465 0.026459 O\n0.652403 0.973542 0.786535 O\n","nsites":20,"nelements":4,"elements":["Ca","Mn","Si","O"],"chemical_system":"Ca-Mn-O-Si","density":3.527079927876568,"density_atomic":0.08593039798754981,"volume":232.7465072708931,"volume_molar":7.008161140918409,"formula_full":"Ca2 Mn2 Si4 O12","formula_reduced":"CaMn(SiO3)2","formula_anonymous":"ABC2D6","energy_above_hull":2.659616586137931,"spacegroup":15},{"id":"jvasp-108691","created_at":"2022-09-04T14:38:04.129806Z","updated_at":"2022-09-04T14:38:04.129832Z","structure_string":"Rb3 Dy1 F6\n1.0\n6.041636 0.146411 -3.306692\n-2.056910 5.682599 -3.306692\n-0.100087 -0.146411 6.886622\nRb Dy F\n3 1 6\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Dy\n-0.000000 0.310614 0.310614 F\n-0.000000 0.689387 0.689386 F\n0.310614 -0.000000 0.310614 F\n0.689386 -0.000000 0.689386 F\n0.229655 0.229655 0.000000 F\n0.770345 0.770345 0.000001 F\n","nsites":10,"nelements":3,"elements":["Rb","Dy","F"],"chemical_system":"Dy-F-Rb","density":3.801833588096092,"density_atomic":0.04296386296221958,"volume":232.7537449040263,"volume_molar":14.01675814229179,"formula_full":"Rb3 Dy1 F6","formula_reduced":"Rb3DyF6","formula_anonymous":"AB3C6","energy_above_hull":0.0,"spacegroup":139},{"id":"jvasp-110281","created_at":"2022-09-04T14:37:52.971734Z","updated_at":"2022-09-04T14:37:52.971752Z","structure_string":"Ca1 Lu2 Te4\n1.0\n4.326893 0.000000 0.000000\n-0.000000 7.048648 2.252276\n0.000000 0.025418 7.640268\nCa Lu Te\n1 2 4\ndirect\n0.000000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.000000 Lu\n0.500000 0.762197 0.242935 Te\n0.000000 0.252882 0.237347 Te\n0.500000 0.237803 0.757065 Te\n0.000000 0.747119 0.762654 Te\n","nsites":7,"nelements":3,"elements":["Ca","Lu","Te"],"chemical_system":"Ca-Lu-Te","density":6.423351929422309,"density_atomic":0.030072489747311856,"volume":232.77088324972235,"volume_molar":20.025414625133628,"formula_full":"Ca1 Lu2 Te4","formula_reduced":"Ca(LuTe2)2","formula_anonymous":"AB2C4","energy_above_hull":0.7472432838095238,"spacegroup":10}]}