{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=updated_at&page=4568","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=updated_at&page=4566","results":[{"id":"jvasp-117718","created_at":"2022-09-04T14:38:53.449194Z","updated_at":"2022-09-04T14:38:53.449215Z","structure_string":"Bi1 O1 F2\n1.0\n3.516459 -2.129211 0.154582\n3.516459 2.129211 0.154582\n-0.461581 0.000000 4.109229\nBi O F\n1 1 2\ndirect\n-0.089918 0.089918 0.000000 Bi\n0.838322 0.161678 0.499999 O\n0.537604 0.795009 0.939880 F\n0.204992 0.462397 0.060118 F\n","nsites":4,"nelements":3,"elements":["Bi","O","F"],"chemical_system":"Bi-F-O","density":7.061750932959199,"density_atomic":0.06468538586333814,"volume":61.83776979317809,"volume_molar":9.309893849474863,"formula_full":"Bi1 O1 F2","formula_reduced":"BiOF2","formula_anonymous":"ABC2","energy_above_hull":0.3249795912499998,"spacegroup":5},{"id":"jvasp-121228","created_at":"2022-09-04T14:38:53.450558Z","updated_at":"2022-09-04T14:38:53.450585Z","structure_string":"Mg1 Sc1\n1.0\n2.913478 0.000000 -0.000000\n0.000000 2.913478 -0.000000\n-0.000000 -0.000000 6.138110\nMg Sc\n1 1\ndirect\n0.000000 0.000000 0.749998 Mg\n0.000000 0.000000 0.250002 Sc\n","nsites":2,"nelements":2,"elements":["Mg","Sc"],"chemical_system":"Mg-Sc","density":2.2073904036901126,"density_atomic":0.038385910159222096,"volume":52.10245091764501,"volume_molar":15.688414668352468,"formula_full":"Mg1 Sc1","formula_reduced":"MgSc","formula_anonymous":"AB","energy_above_hull":1.0495851,"spacegroup":123},{"id":"jvasp-118689","created_at":"2022-09-04T14:38:53.450662Z","updated_at":"2022-09-04T14:38:53.450688Z","structure_string":"Mg1 Cl2\n1.0\n3.516042 0.000000 -0.424753\n0.000000 3.872213 0.000000\n-0.664852 0.000000 5.783081\nMg Cl\n1 2\ndirect\n0.466680 0.000000 0.133340 Mg\n-0.159685 0.000000 -0.142600 Cl\n0.093006 0.000000 0.409259 Cl\n","nsites":3,"nelements":2,"elements":["Mg","Cl"],"chemical_system":"Cl-Mg","density":2.036280162847681,"density_atomic":0.03863870489240384,"volume":77.64235391310395,"volume_molar":15.585772806748293,"formula_full":"Mg1 Cl2","formula_reduced":"MgCl2","formula_anonymous":"AB2","energy_above_hull":0.1772466666666666,"spacegroup":10},{"id":"jvasp-120753","created_at":"2022-09-04T14:38:53.454358Z","updated_at":"2022-09-04T14:38:53.454384Z","structure_string":"Li4 Mn1 Fe3 B4 O12\n1.0\n5.188420 -0.133420 -0.005278\n-0.088036 5.829343 1.064005\n-0.210273 -0.199756 7.722181\nLi Mn Fe B O\n4 1 3 4 12\ndirect\n0.587510 0.891929 0.810841 Li\n0.912302 0.607707 0.687911 Li\n0.083247 0.373509 0.310170 Li\n0.415076 0.122344 0.190833 Li\n0.084390 0.087542 0.672925 Mn\n0.422458 0.420588 0.830127 Fe\n0.892636 0.884038 0.314166 Fe\n0.603838 0.600518 0.178359 Fe\n0.098354 0.738787 -0.002355 B\n0.588838 0.258429 0.499826 B\n0.398636 0.757477 0.499387 B\n0.914097 0.248049 0.003442 B\n0.052281 0.137488 0.143822 O\n0.363540 0.726887 0.983281 O\n0.946117 0.836325 0.859976 O\n0.038983 0.342613 0.849044 O\n0.134018 0.774632 0.512562 O\n0.547586 0.661478 0.640215 O\n0.516520 0.853080 0.343273 O\n0.471200 0.165954 0.658241 O\n0.442255 0.356773 0.358428 O\n0.851584 0.243922 0.485168 O\n0.984649 0.638436 0.154220 O\n0.649882 0.271477 0.016143 O\n","nsites":24,"nelements":5,"elements":["Li","Mn","Fe","B","O"],"chemical_system":"B-Fe-Li-Mn-O","density":3.4363650541740918,"density_atomic":0.10230470347731911,"volume":234.59331960549386,"volume_molar":5.886474966749798,"formula_full":"Li4 Mn1 Fe3 B4 O12","formula_reduced":"Li4MnFe3(BO3)4","formula_anonymous":"AB3C4D4E12","energy_above_hull":3.322998169779693,"spacegroup":1},{"id":"jvasp-117593","created_at":"2022-09-04T14:38:53.458938Z","updated_at":"2022-09-04T14:38:53.458958Z","structure_string":"Ba1 Pb1 F1\n1.0\n5.598299 -0.000000 -0.000000\n-2.799150 4.848269 0.000000\n-0.000000 -0.000000 3.715341\nBa Pb F\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666666 0.333333 0.000000 Pb\n0.333333 0.666666 0.000000 F\n","nsites":3,"nelements":3,"elements":["Ba","Pb","F"],"chemical_system":"Ba-F-Pb","density":5.9860781719969465,"density_atomic":0.029749507226118556,"volume":100.84200646409876,"volume_molar":20.242825248254423,"formula_full":"Ba1 Pb1 F1","formula_reduced":"BaPbF","formula_anonymous":"ABC","energy_above_hull":0.1101994649999999,"spacegroup":187},{"id":"jvasp-122941","created_at":"2022-09-04T14:38:53.458971Z","updated_at":"2022-09-04T14:38:53.458999Z","structure_string":"Er1 V1\n1.0\n3.435932 -0.000000 -0.000000\n-0.000000 3.435932 -0.000000\n0.000000 0.000000 3.435932\nEr V\n1 1\ndirect\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 V\n","nsites":2,"nelements":2,"elements":["Er","V"],"chemical_system":"Er-V","density":8.932461609162168,"density_atomic":0.04930560760608728,"volume":40.563337460079886,"volume_molar":12.213906393999098,"formula_full":"Er1 V1","formula_reduced":"ErV","formula_anonymous":"AB","energy_above_hull":null,"spacegroup":221},{"id":"jvasp-123421","created_at":"2022-09-04T14:38:53.460984Z","updated_at":"2022-09-04T14:38:53.461014Z","structure_string":"Zr1 Pa1\n1.0\n1.593755 -2.760462 0.000000\n1.593755 2.760462 -0.000000\n0.000000 -0.000000 5.516317\nZr Pa\n1 1\ndirect\n0.333335 0.666668 0.750000 Zr\n0.666668 0.333335 0.250000 Pa\n","nsites":2,"nelements":2,"elements":["Zr","Pa"],"chemical_system":"Pa-Zr","density":11.024852660572064,"density_atomic":0.04120476591946198,"volume":48.53807454965671,"volume_molar":14.615155857870318,"formula_full":"Zr1 Pa1","formula_reduced":"ZrPa","formula_anonymous":"AB","energy_above_hull":3.0231738,"spacegroup":187},{"id":"jvasp-121318","created_at":"2022-09-04T14:38:53.464886Z","updated_at":"2022-09-04T14:38:53.464912Z","structure_string":"Nd4 As8 Au4\n1.0\n4.115924 -0.000000 0.000000\n0.000000 4.150628 0.000000\n0.000000 0.000000 20.679346\nNd As Au\n4 8 4\ndirect\n0.250000 0.225602 0.118037 Nd\n0.749999 0.725602 0.381963 Nd\n0.250000 0.274399 0.618037 Nd\n0.749999 0.774399 0.881963 Nd\n0.250000 0.704178 0.001706 As\n0.749999 0.728127 0.157114 As\n0.250000 0.228126 0.342886 As\n0.749999 0.204178 0.498294 As\n0.250000 0.795822 0.501706 As\n0.749999 0.771874 0.657114 As\n0.250000 0.271874 0.842886 As\n0.749999 0.295822 0.998294 As\n0.749999 0.208222 0.251472 Au\n0.250000 0.708222 0.248528 Au\n0.749999 0.291778 0.751472 Au\n0.250000 0.791778 0.748528 Au\n","nsites":16,"nelements":3,"elements":["Nd","As","Au"],"chemical_system":"As-Au-Nd","density":9.232480743564293,"density_atomic":0.04528996910787838,"volume":353.2791104778372,"volume_molar":13.29685331790704,"formula_full":"Nd4 As8 Au4","formula_reduced":"NdAs2Au","formula_anonymous":"ABC2","energy_above_hull":1.4747731425,"spacegroup":62},{"id":"jvasp-120270","created_at":"2022-09-04T14:38:53.470366Z","updated_at":"2022-09-04T14:38:53.470401Z","structure_string":"K1 Se1\n1.0\n5.404095 0.000000 -0.000000\n-2.702047 4.680083 -0.000000\n0.000000 -0.000000 3.009973\nK Se\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.333333 0.666666 0.000000 Se\n","nsites":2,"nelements":2,"elements":["K","Se"],"chemical_system":"K-Se","density":2.5751734881082133,"density_atomic":0.026271862685075257,"volume":76.12707267749907,"volume_molar":22.922397365532472,"formula_full":"K1 Se1","formula_reduced":"KSe","formula_anonymous":"AB","energy_above_hull":0.2589233416666666,"spacegroup":187},{"id":"jvasp-120899","created_at":"2022-09-04T14:38:53.470653Z","updated_at":"2022-09-04T14:38:53.470672Z","structure_string":"Bi1 O1\n1.0\n3.961349 0.000000 -0.000000\n-1.980674 3.430629 0.000000\n-0.000000 -0.000000 3.386611\nBi O\n1 1\ndirect\n0.000000 0.000000 0.000000 Bi\n0.333333 0.666667 0.000000 O\n","nsites":2,"nelements":2,"elements":["Bi","O"],"chemical_system":"Bi-O","density":8.117278537478969,"density_atomic":0.04345580710598759,"volume":46.02376835671356,"volume_molar":13.858080567488146,"formula_full":"Bi1 O1","formula_reduced":"BiO","formula_anonymous":"AB","energy_above_hull":0.7163038999999998,"spacegroup":187},{"id":"jvasp-118226","created_at":"2022-09-04T14:38:53.472289Z","updated_at":"2022-09-04T14:38:53.472313Z","structure_string":"Sc1 Cu1 O1\n1.0\n4.083684 -0.000000 0.000000\n-2.041842 3.536574 -0.000000\n0.000000 0.000000 3.065167\nSc Cu O\n1 1 1\ndirect\n0.666665 0.333333 0.000000 Sc\n0.000000 0.000000 0.000000 Cu\n0.333332 0.666666 0.000000 O\n","nsites":3,"nelements":3,"elements":["Sc","Cu","O"],"chemical_system":"Cu-O-Sc","density":4.6701841545587595,"density_atomic":0.06776918069006455,"volume":44.267910124518025,"volume_molar":8.886252864029222,"formula_full":"Sc1 Cu1 O1","formula_reduced":"ScCuO","formula_anonymous":"ABC","energy_above_hull":1.1812230666666663,"spacegroup":187},{"id":"jvasp-119992","created_at":"2022-09-04T14:38:53.474135Z","updated_at":"2022-09-04T14:38:53.474172Z","structure_string":"Tl1 Ag1 F4\n1.0\n4.091096 0.000000 0.000000\n-0.000000 4.091096 0.000000\n0.000000 0.000000 6.389534\nTl Ag F\n1 1 4\ndirect\n0.500000 0.500000 0.499999 Tl\n0.000000 0.000000 0.000000 Ag\n0.000000 0.000000 0.685111 F\n0.000000 0.000000 0.314887 F\n0.500000 0.000000 0.000000 F\n0.000000 0.500000 0.000000 F\n","nsites":6,"nelements":3,"elements":["Tl","Ag","F"],"chemical_system":"Ag-F-Tl","density":6.028462564696832,"density_atomic":0.05610514947382113,"volume":106.94205534199,"volume_molar":10.733668507219562,"formula_full":"Tl1 Ag1 F4","formula_reduced":"TlAgF4","formula_anonymous":"ABC4","energy_above_hull":0.0,"spacegroup":123}]}