{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-id&page=4371","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-id&page=4369","results":[{"id":"jvasp-104791","created_at":"2022-09-04T14:36:48.748807Z","updated_at":"2022-09-04T14:36:48.748823Z","structure_string":"Ti1 Cr1 O4\n1.0\n3.488568 -0.029283 -4.209648\n-0.475764 3.456098 -4.209648\n0.025745 0.029283 5.467228\nTi Cr O\n1 1 4\ndirect\n0.750000 0.250000 0.500000 Ti\n0.000000 0.000000 0.000000 Cr\n0.962357 0.462357 0.500000 O\n0.797395 0.797394 0.000001 O\n0.537643 0.037643 0.500000 O\n0.202607 0.202607 0.000000 O\n","nsites":6,"nelements":3,"elements":["Ti","Cr","O"],"chemical_system":"Cr-O-Ti","density":4.078945193454219,"density_atomic":0.08994462534016585,"volume":66.70771018622085,"volume_molar":6.695387008645129,"formula_full":"Ti1 Cr1 O4","formula_reduced":"TiCrO4","formula_anonymous":"ABC4","energy_above_hull":2.9428549555555565,"spacegroup":119},{"id":"jvasp-104790","created_at":"2022-09-04T14:36:49.558933Z","updated_at":"2022-09-04T14:36:49.558971Z","structure_string":"Na2 Mn2 O4\n1.0\n3.130125 -0.027276 -0.537017\n-0.267978 4.764115 1.879174\n0.030969 -0.007093 6.001927\nNa Mn O\n2 2 4\ndirect\n0.250017 0.750018 0.499999 Na\n0.750018 0.250017 0.500000 Na\n0.500012 0.500011 -0.000001 Mn\n0.000011 0.000011 0.000000 Mn\n0.138363 0.217764 0.208354 O\n0.638364 0.717764 0.208353 O\n0.861660 0.782259 0.791645 O\n0.361659 0.282259 0.791646 O\n","nsites":8,"nelements":3,"elements":["Na","Mn","O"],"chemical_system":"Mn-Na-O","density":4.0755487759126146,"density_atomic":0.08930877593939913,"volume":89.57686314532444,"volume_molar":6.743055983755001,"formula_full":"Na2 Mn2 O4","formula_reduced":"NaMnO2","formula_anonymous":"ABC2","energy_above_hull":1.6297133103448274,"spacegroup":12},{"id":"jvasp-10479","created_at":"2022-09-04T14:37:09.600708Z","updated_at":"2022-09-04T14:37:09.600726Z","structure_string":"Rb6 S6\n1.0\n4.429399 -7.671943 -0.000000\n4.429399 7.671943 0.000000\n0.000000 0.000000 6.035738\nRb S\n6 6\ndirect\n0.000000 0.304014 0.500000 Rb\n0.695986 0.695986 0.500000 Rb\n0.304014 0.000000 0.500000 Rb\n0.000000 0.639373 0.000000 Rb\n0.360627 0.360627 0.000000 Rb\n0.639373 0.000000 0.000000 Rb\n0.666667 0.333333 0.321341 S\n0.666667 0.333333 0.678659 S\n0.333333 0.666667 0.678659 S\n0.333333 0.666667 0.321341 S\n0.000000 0.000000 0.823093 S\n0.000000 0.000000 0.176907 S\n","nsites":12,"nelements":2,"elements":["Rb","S"],"chemical_system":"Rb-S","density":2.8546238131012505,"density_atomic":0.02925301945547879,"volume":410.21406416740075,"volume_molar":20.58639030123133,"formula_full":"Rb6 S6","formula_reduced":"RbS","formula_anonymous":"AB","energy_above_hull":0.0781275,"spacegroup":189},{"id":"jvasp-104788","created_at":"2022-09-04T14:36:48.670997Z","updated_at":"2022-09-04T14:36:48.671021Z","structure_string":"W1 O1 F4\n1.0\n4.885851 0.197268 -0.715064\n-3.631649 3.274382 -0.715064\n-0.071267 -0.197268 4.937386\nW O F\n1 1 4\ndirect\n0.000859 0.000859 0.000000 W\n0.559226 0.559226 0.000001 O\n0.351296 -0.009649 0.191237 F\n-0.009650 0.799113 0.639056 F\n0.160059 0.351296 0.360946 F\n0.799113 0.160059 0.808764 F\n","nsites":6,"nelements":3,"elements":["W","O","F"],"chemical_system":"F-O-W","density":5.643012365439718,"density_atomic":0.0739208431403009,"volume":81.16790535806079,"volume_molar":8.146742521010005,"formula_full":"W1 O1 F4","formula_reduced":"WOF4","formula_anonymous":"ABC4","energy_above_hull":1.3610891050000005,"spacegroup":79},{"id":"jvasp-104787","created_at":"2022-09-04T14:36:48.763451Z","updated_at":"2022-09-04T14:36:48.763486Z","structure_string":"K1 Ni1 I1 O6\n1.0\n5.022174 -0.000000 0.000000\n-2.511088 4.349330 0.000000\n-0.000000 0.000000 5.960783\nK Ni I O\n1 1 1 6\ndirect\n0.000000 0.000000 0.000000 K\n0.333333 0.666667 0.500000 Ni\n0.666666 0.333333 0.500000 I\n0.374345 0.995978 0.679821 O\n0.004022 0.378369 0.679821 O\n0.621630 0.625654 0.679821 O\n0.004022 0.625654 0.320179 O\n0.621630 0.995978 0.320179 O\n0.374346 0.378369 0.320179 O\n","nsites":9,"nelements":4,"elements":["K","Ni","I","O"],"chemical_system":"I-K-Ni-O","density":4.089974194846419,"density_atomic":0.06912339840982312,"volume":130.2019317198532,"volume_molar":8.71215955600961,"formula_full":"K1 Ni1 I1 O6","formula_reduced":"KNiIO6","formula_anonymous":"ABCD6","energy_above_hull":1.7784697416666666,"spacegroup":149},{"id":"jvasp-104784","created_at":"2022-09-04T14:36:48.323771Z","updated_at":"2022-09-04T14:36:48.323797Z","structure_string":"Sr2 Fe2 O4\n1.0\n5.189877 -0.000000 0.663824\n-2.653972 3.888542 2.283500\n-0.118067 0.000000 5.230827\nSr Fe O\n2 2 4\ndirect\n0.750000 0.500000 0.750000 Sr\n0.250000 0.500000 0.250000 Sr\n0.500001 -0.000000 0.500001 Fe\n-0.000000 0.000001 0.000000 Fe\n0.249999 -0.000000 0.249999 O\n0.750001 -0.000000 0.750001 O\n0.249998 0.499998 0.750002 O\n0.750002 0.500000 0.249998 O\n","nsites":8,"nelements":3,"elements":["Sr","Fe","O"],"chemical_system":"Fe-O-Sr","density":5.504278311710385,"density_atomic":0.07556553268945544,"volume":105.86837299059145,"volume_molar":7.969428052269049,"formula_full":"Sr2 Fe2 O4","formula_reduced":"SrFeO2","formula_anonymous":"ABC2","energy_above_hull":1.3719497025,"spacegroup":123},{"id":"jvasp-104783","created_at":"2022-09-04T14:36:47.069989Z","updated_at":"2022-09-04T14:36:47.070016Z","structure_string":"La2 Co2 O6\n1.0\n4.708347 -0.007017 2.607851\n1.530872 4.455491 2.603370\n-0.011995 -0.001672 5.384297\nLa Co O\n2 2 6\ndirect\n0.750005 0.749942 0.250045 La\n0.249997 0.250058 0.749955 La\n0.500000 0.500000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.249897 0.694577 0.305425 O\n0.750105 0.305423 0.694574 O\n0.805767 0.250574 0.194232 O\n0.194234 0.749427 0.805768 O\n0.694100 0.805893 0.749583 O\n0.305901 0.194106 0.250417 O\n","nsites":10,"nelements":3,"elements":["La","Co","O"],"chemical_system":"Co-La-O","density":7.214754725823061,"density_atomic":0.08836809020241224,"volume":113.163020464677,"volume_molar":6.814836380650455,"formula_full":"La2 Co2 O6","formula_reduced":"LaCoO3","formula_anonymous":"ABC3","energy_above_hull":2.14065128,"spacegroup":167},{"id":"jvasp-104782","created_at":"2022-09-04T14:36:46.889815Z","updated_at":"2022-09-04T14:36:46.889839Z","structure_string":"Li1 V2 Cr1 O6\n1.0\n4.336510 0.042505 2.322196\n-1.602882 4.047981 -2.290140\n-0.073425 0.006540 5.346489\nLi V Cr O\n1 2 1 6\ndirect\n0.711242 0.288859 0.866341 Li\n-0.002266 0.002215 0.006621 V\n0.502265 0.497675 0.493005 V\n0.194724 0.805301 0.415782 Cr\n0.268680 0.088446 0.207413 O\n0.911556 0.387701 0.207407 O\n0.612295 0.731285 0.207344 O\n0.390079 0.219642 0.699234 O\n0.130262 0.609933 0.699256 O\n0.780358 0.869736 0.699197 O\n","nsites":10,"nelements":4,"elements":["Li","V","Cr","O"],"chemical_system":"Cr-Li-O-V","density":4.491111292616468,"density_atomic":0.10531295451152273,"volume":94.95507980365187,"volume_molar":5.718328564546247,"formula_full":"Li1 V2 Cr1 O6","formula_reduced":"LiV2CrO6","formula_anonymous":"ABC2D6","energy_above_hull":3.19001968,"spacegroup":146},{"id":"jvasp-104780","created_at":"2022-09-04T14:36:30.811022Z","updated_at":"2022-09-04T14:36:30.811046Z","structure_string":"Ba2 Cd1 N2\n1.0\n4.020899 0.000000 -1.173744\n-0.342557 4.006289 -1.173499\n0.021261 0.022757 7.546910\nBa Cd N\n2 1 2\ndirect\n0.840042 0.840043 0.180084 Ba\n0.159957 0.159958 0.819917 Ba\n0.500000 0.500000 0.500000 Cd\n0.350559 0.350559 0.201118 N\n0.649440 0.649441 0.798882 N\n","nsites":5,"nelements":3,"elements":["Ba","Cd","N"],"chemical_system":"Ba-Cd-N","density":5.65941942671283,"density_atomic":0.041054678368377055,"volume":121.78879968650104,"volume_molar":14.668585894071065,"formula_full":"Ba2 Cd1 N2","formula_reduced":"Ba2CdN2","formula_anonymous":"AB2C2","energy_above_hull":1.597227638,"spacegroup":139},{"id":"jvasp-10478","created_at":"2022-09-04T14:37:13.444793Z","updated_at":"2022-09-04T14:37:13.444813Z","structure_string":"K1 Li6 Ta1 O6\n1.0\n5.222864 0.002401 -1.031268\n-1.255257 5.069778 -1.031268\n0.001878 0.002401 5.323703\nK Li Ta O\n1 6 1 6\ndirect\n0.500000 0.500000 0.499999 K\n0.344323 -0.000000 0.655676 Li\n-0.000000 0.655677 0.344323 Li\n0.344322 0.655677 -0.000000 Li\n0.000000 0.344323 0.655676 Li\n0.655677 -0.000000 0.344322 Li\n0.655676 0.344323 -0.000001 Li\n0.000000 0.000000 0.000000 Ta\n0.272672 0.914734 0.272672 O\n0.272673 0.272672 0.914733 O\n0.727327 0.085266 0.727327 O\n0.727327 0.727328 0.085266 O\n0.085266 0.727328 0.727327 O\n0.914733 0.272672 0.272672 O\n","nsites":14,"nelements":4,"elements":["K","Li","Ta","O"],"chemical_system":"K-Li-O-Ta","density":4.212245026668206,"density_atomic":0.09928588009424547,"volume":141.00695876101148,"volume_molar":6.0654553842737595,"formula_full":"K1 Li6 Ta1 O6","formula_reduced":"KLi6TaO6","formula_anonymous":"ABC6D6","energy_above_hull":1.9828213,"spacegroup":166},{"id":"jvasp-104777","created_at":"2022-09-04T14:37:15.553141Z","updated_at":"2022-09-04T14:37:15.553163Z","structure_string":"Li2 Sn2 N2\n1.0\n3.273982 0.000000 0.000000\n-1.636991 2.835345 0.000000\n-0.000000 -0.000000 9.947038\nLi Sn N\n2 2 2\ndirect\n0.666667 0.333333 0.728359 Li\n0.333334 0.666668 0.228359 Li\n0.999999 0.999997 0.498520 Sn\n0.000002 0.000005 0.998520 Sn\n0.333333 0.666666 0.617761 N\n0.666668 0.333335 0.117761 N\n","nsites":6,"nelements":3,"elements":["Li","Sn","N"],"chemical_system":"Li-N-Sn","density":5.023055809336379,"density_atomic":0.0649793369207992,"volume":92.33704565673189,"volume_molar":9.2677781051231,"formula_full":"Li2 Sn2 N2","formula_reduced":"LiSnN","formula_anonymous":"ABC","energy_above_hull":1.747984983333333,"spacegroup":186},{"id":"jvasp-104776","created_at":"2022-09-04T14:36:45.496889Z","updated_at":"2022-09-04T14:36:45.496920Z","structure_string":"Zr2 Ge2 N4\n1.0\n3.927768 0.000000 0.000000\n0.000000 3.927768 0.000000\n-0.000000 -0.000000 7.807006\nZr Ge N\n2 2 4\ndirect\n0.750000 0.750000 0.611710 Zr\n0.250000 0.250000 0.388290 Zr\n0.750000 0.750000 0.115213 Ge\n0.250000 0.250000 0.884788 Ge\n0.750000 0.250000 0.500000 N\n0.250000 0.750000 0.500000 N\n0.750000 0.750000 0.879505 N\n0.250000 0.250000 0.120496 N\n","nsites":8,"nelements":3,"elements":["Zr","Ge","N"],"chemical_system":"Ge-N-Zr","density":5.290865846864046,"density_atomic":0.0664222860703821,"volume":120.44150349662874,"volume_molar":9.06644609253413,"formula_full":"Zr2 Ge2 N4","formula_reduced":"ZrGeN2","formula_anonymous":"ABC2","energy_above_hull":3.6450842375,"spacegroup":129}]}