{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=created_at&page=3451","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=created_at&page=3449","results":[{"id":"jvasp-18265","created_at":"2022-09-04T14:38:09.169934Z","updated_at":"2022-09-04T14:38:09.169957Z","structure_string":"Mn1 In1 Cu2\n1.0\n3.797079 -0.000000 2.192245\n1.265693 3.579921 2.192245\n-0.000000 0.000000 4.384490\nMn In Cu\n1 1 2\ndirect\n0.500000 0.500000 0.499999 Mn\n0.000000 0.000000 0.000000 In\n0.750000 0.750000 0.749999 Cu\n0.250000 0.250000 0.250000 Cu\n","nsites":4,"nelements":3,"elements":["Mn","In","Cu"],"chemical_system":"Cu-In-Mn","density":8.270678340446224,"density_atomic":0.06711472755572659,"volume":59.599437346724336,"volume_molar":8.972905022969373,"formula_full":"Mn1 In1 Cu2","formula_reduced":"MnInCu2","formula_anonymous":"ABC2","energy_above_hull":0.7566670278448274,"spacegroup":225},{"id":"jvasp-47159","created_at":"2022-09-04T14:38:09.170105Z","updated_at":"2022-09-04T14:38:09.170131Z","structure_string":"Li1 V1 F6\n1.0\n-5.385803 0.000000 -0.000000\n-2.692902 1.554747 -4.397489\n0.000000 -3.109494 -4.397489\nLi V F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.499999 0.000001 0.500000 V\n0.736716 0.526567 0.736716 F\n0.736716 0.000001 0.736716 F\n0.736716 0.000000 0.263283 F\n0.263282 0.473434 0.263283 F\n0.263283 0.000001 0.736716 F\n0.263283 0.000000 0.263283 F\n","nsites":8,"nelements":3,"elements":["Li","V","F"],"chemical_system":"F-Li-V","density":2.583570654481274,"density_atomic":0.07241920936695552,"volume":110.46792791486004,"volume_molar":8.315667642110256,"formula_full":"Li1 V1 F6","formula_reduced":"LiVF6","formula_anonymous":"ABC6","energy_above_hull":0.241879486875,"spacegroup":225},{"id":"jvasp-41412","created_at":"2022-09-04T14:38:09.174024Z","updated_at":"2022-09-04T14:38:09.174044Z","structure_string":"Lu1 Mg1 Hg2\n1.0\n0.000000 3.524997 3.524997\n3.524997 -0.000000 3.524997\n3.524997 3.524997 -0.000000\nLu Mg Hg\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Lu\n0.750002 0.750002 0.750002 Mg\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n","nsites":4,"nelements":3,"elements":["Lu","Mg","Hg"],"chemical_system":"Hg-Lu-Mg","density":11.382067121709454,"density_atomic":0.04566187496778418,"volume":87.60043258894034,"volume_molar":13.188553392187249,"formula_full":"Lu1 Mg1 Hg2","formula_reduced":"LuMgHg2","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-17881","created_at":"2022-09-04T14:38:09.180995Z","updated_at":"2022-09-04T14:38:09.181022Z","structure_string":"U1 Fe2 Si2\n1.0\n3.694717 0.000000 -1.411282\n-0.539072 3.655180 -1.411282\n-0.052959 -0.061342 5.403356\nU Fe Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 U\n0.750001 0.250000 0.500001 Fe\n0.250000 0.750000 0.500001 Fe\n0.630340 0.630339 0.260679 Si\n0.369661 0.369661 0.739323 Si\n","nsites":5,"nelements":3,"elements":["U","Fe","Si"],"chemical_system":"Fe-Si-U","density":9.318111207146783,"density_atomic":0.06912585893815837,"volume":72.33183177475044,"volume_molar":8.711849447523756,"formula_full":"U1 Fe2 Si2","formula_reduced":"U(FeSi)2","formula_anonymous":"AB2C2","energy_above_hull":3.967888839999999,"spacegroup":139},{"id":"jvasp-20889","created_at":"2022-09-04T14:38:09.181512Z","updated_at":"2022-09-04T14:38:09.181529Z","structure_string":"Y8 Si4 O20\n1.0\n6.335216 0.000000 2.375359\n2.692429 7.134406 2.455008\n0.004677 0.023024 9.623396\nY Si O\n8 4 20\ndirect\n0.765792 0.553036 0.164958 Y\n0.234209 0.446964 0.835043 Y\n0.516217 0.053036 0.664958 Y\n0.218593 0.608329 0.464786 Y\n0.291707 0.891672 0.035215 Y\n0.781409 0.391671 0.535215 Y\n0.708294 0.108328 0.964786 Y\n0.483784 0.946964 0.335043 Y\n0.272653 0.444543 0.192084 Si\n0.909280 0.055457 0.307916 Si\n0.727348 0.555457 0.807917 Si\n0.090721 0.944543 0.692084 Si\n0.088309 0.962792 0.858550 O\n0.909650 0.537208 0.641451 O\n0.911693 0.037208 0.141451 O\n0.090351 0.462792 0.358550 O\n0.385316 0.138335 0.898105 O\n0.169700 0.917461 0.319866 O\n0.407026 0.582540 0.180134 O\n0.443620 0.231149 0.174858 O\n0.849628 0.268851 0.325142 O\n0.556381 0.768851 0.825142 O\n0.150374 0.731149 0.674858 O\n0.133012 0.538179 0.060906 O\n0.732095 0.961822 0.439094 O\n0.866990 0.461821 0.939094 O\n0.267906 0.038178 0.560906 O\n0.578246 0.638336 0.398105 O\n0.614686 0.861665 0.101895 O\n0.421755 0.361664 0.601895 O\n0.592975 0.417460 0.819866 O\n0.830301 0.082539 0.680134 O\n","nsites":32,"nelements":3,"elements":["Y","Si","O"],"chemical_system":"O-Si-Y","density":4.368743893434091,"density_atomic":0.07361937578234864,"volume":434.6681788583228,"volume_molar":8.180102990555238,"formula_full":"Y8 Si4 O20","formula_reduced":"Y2SiO5","formula_anonymous":"AB2C5","energy_above_hull":2.607648375,"spacegroup":15},{"id":"jvasp-44749","created_at":"2022-09-04T14:38:09.182172Z","updated_at":"2022-09-04T14:38:09.182201Z","structure_string":"Li4 Ti1 V3 O10\n1.0\n6.644193 0.000000 0.000000\n0.000000 6.644193 0.000000\n0.000000 0.000000 4.519162\nLi Ti V O\n4 1 3 10\ndirect\n0.751019 0.751019 0.000000 Li\n0.751019 0.248980 0.000000 Li\n0.248980 0.248980 0.000000 Li\n0.248980 0.751019 0.000000 Li\n0.500000 0.500000 0.500000 Ti\n0.000000 0.500000 0.606579 V\n0.500000 0.000000 0.393420 V\n0.000000 0.000000 0.500000 V\n0.500000 0.279045 0.258191 O\n0.500000 0.720955 0.258191 O\n0.279045 0.500000 0.741809 O\n0.217491 0.000000 0.264851 O\n0.782508 0.000000 0.264851 O\n0.000000 0.217491 0.735148 O\n0.000000 0.500000 0.235851 O\n0.500000 0.000000 0.764149 O\n0.000000 0.782508 0.735148 O\n0.720955 0.500000 0.741809 O\n","nsites":18,"nelements":4,"elements":["Li","Ti","V","O"],"chemical_system":"Li-O-Ti-V","density":3.233264811124479,"density_atomic":0.09022567016977869,"volume":199.49976504612482,"volume_molar":6.674531481637175,"formula_full":"Li4 Ti1 V3 O10","formula_reduced":"Li4TiV3O10","formula_anonymous":"AB3C4D10","energy_above_hull":2.913665885185185,"spacegroup":115},{"id":"jvasp-11723","created_at":"2022-09-04T14:38:09.182770Z","updated_at":"2022-09-04T14:38:09.182797Z","structure_string":"Ba1 Ca1 Fe4 O8\n1.0\n2.736583 -4.739902 0.000000\n2.736583 4.739902 -0.000000\n-0.000000 -0.000000 7.727790\nBa Ca Fe O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ca\n0.333332 0.666666 0.242624 Fe\n0.666666 0.333332 0.242624 Fe\n0.333332 0.666666 0.757376 Fe\n0.666666 0.333332 0.757376 Fe\n0.328022 -0.000000 0.303633 O\n0.671977 0.671977 0.303633 O\n-0.000000 0.328022 0.303633 O\n0.671977 -0.000000 0.696367 O\n-0.000000 0.671977 0.696367 O\n0.328022 0.328022 0.696367 O\n0.333332 0.666666 0.000000 O\n0.666666 0.333332 0.000000 O\n","nsites":14,"nelements":4,"elements":["Ba","Ca","Fe","O"],"chemical_system":"Ba-Ca-Fe-O","density":4.3798676529246015,"density_atomic":0.06983364985163393,"volume":200.47641831329022,"volume_molar":8.623551501023396,"formula_full":"Ba1 Ca1 Fe4 O8","formula_reduced":"BaCa(FeO2)4","formula_anonymous":"ABC4D8","energy_above_hull":2.7224954564285717,"spacegroup":162},{"id":"jvasp-109835","created_at":"2022-09-04T14:38:09.183743Z","updated_at":"2022-09-04T14:38:09.183767Z","structure_string":"Na2 Sm1 Cu1 Cl6\n1.0\n6.298724 -0.000000 3.636570\n2.099575 5.938494 3.636570\n-0.000000 -0.000000 7.273140\nNa Sm Cu Cl\n2 1 1 6\ndirect\n0.749999 0.749999 0.750001 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Sm\n0.499999 0.500000 0.500000 Cu\n0.741279 0.258720 0.258720 Cl\n0.258720 0.258720 0.741280 Cl\n0.258719 0.741280 0.741281 Cl\n0.258719 0.741280 0.258720 Cl\n0.741279 0.258720 0.741280 Cl\n0.741279 0.741280 0.258721 Cl\n","nsites":10,"nelements":4,"elements":["Na","Sm","Cu","Cl"],"chemical_system":"Cl-Cu-Na-Sm","density":2.8846638923325263,"density_atomic":0.03675776966006324,"volume":272.0513266305395,"volume_molar":16.383313829138455,"formula_full":"Na2 Sm1 Cu1 Cl6","formula_reduced":"Na2SmCuCl6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-37169","created_at":"2022-09-04T14:38:09.185710Z","updated_at":"2022-09-04T14:38:09.185726Z","structure_string":"Zn1 N1\n1.0\n2.290634 2.290634 0.000000\n2.290634 0.000000 -2.290634\n0.000000 2.290634 -2.290634\nZn N\n1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.749999 0.749999 0.749999 N\n","nsites":2,"nelements":2,"elements":["Zn","N"],"chemical_system":"N-Zn","density":5.486032322317988,"density_atomic":0.08320183256037716,"volume":24.037932079785115,"volume_molar":7.237990528189276,"formula_full":"Zn1 N1","formula_reduced":"ZnN","formula_anonymous":"AB","energy_above_hull":1.436461825,"spacegroup":216},{"id":"jvasp-34684","created_at":"2022-09-04T14:38:09.189313Z","updated_at":"2022-09-04T14:38:09.189344Z","structure_string":"Al2 Tl2 F8\n1.0\n4.808421 0.000000 -1.791508\n-0.667475 4.761868 -1.791508\n0.004976 0.005722 7.362027\nAl Tl F\n2 2 8\ndirect\n0.499999 0.500000 -0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.250000 0.750000 0.500000 Tl\n0.750000 0.250000 0.500000 Tl\n0.639966 0.639967 0.279934 F\n0.701676 0.798323 -0.000001 F\n0.860033 0.860033 0.720065 F\n0.360033 0.360033 0.720065 F\n0.798322 0.298323 -0.000000 F\n0.298323 0.201677 -0.000000 F\n0.201676 0.701677 -0.000000 F\n0.139967 0.139967 0.279935 F\n","nsites":12,"nelements":3,"elements":["Al","Tl","F"],"chemical_system":"Al-F-Tl","density":6.051918860340844,"density_atomic":0.07114593483600458,"volume":168.66740211736175,"volume_molar":8.46449030978562,"formula_full":"Al2 Tl2 F8","formula_reduced":"AlTlF4","formula_anonymous":"ABC4","energy_above_hull":0.0003516666666665,"spacegroup":140},{"id":"jvasp-47182","created_at":"2022-09-04T14:38:09.191236Z","updated_at":"2022-09-04T14:38:09.191263Z","structure_string":"Li2 Cr2 O4\n1.0\n1.460648 -2.529916 0.000000\n1.460648 2.529916 -0.000000\n0.000000 -0.000000 9.747316\nLi Cr O\n2 2 4\ndirect\n0.333333 0.666668 0.761200 Li\n0.666668 0.333333 0.261199 Li\n0.333333 0.666668 0.500268 Cr\n0.666668 0.333333 0.000268 Cr\n0.000000 0.000000 0.387440 O\n0.333333 0.666668 0.110653 O\n0.666668 0.333333 0.610654 O\n0.000000 0.000000 0.887440 O\n","nsites":8,"nelements":3,"elements":["Li","Cr","O"],"chemical_system":"Cr-Li-O","density":4.19225557608462,"density_atomic":0.11105120503475999,"volume":72.03884007828579,"volume_molar":5.422850439232081,"formula_full":"Li2 Cr2 O4","formula_reduced":"LiCrO2","formula_anonymous":"ABC2","energy_above_hull":2.0227386000000003,"spacegroup":186},{"id":"jvasp-18242","created_at":"2022-09-04T14:38:09.194857Z","updated_at":"2022-09-04T14:38:09.194873Z","structure_string":"Tm3 Tl1 C1\n1.0\n5.498751 -0.000000 -0.000000\n-0.000000 5.498751 -0.000000\n0.000000 0.000000 5.498751\nTm Tl C\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Tm\n0.500000 0.500000 0.000000 Tm\n0.500000 0.000000 0.500000 Tm\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 C\n","nsites":5,"nelements":3,"elements":["Tm","Tl","C"],"chemical_system":"C-Tl-Tm","density":7.22292872451173,"density_atomic":0.030073075349845522,"volume":166.2616789880681,"volume_molar":20.025024677201607,"formula_full":"Tm3 Tl1 C1","formula_reduced":"Tm3TlC","formula_anonymous":"ABC3","energy_above_hull":2.3313710700000003,"spacegroup":221}]}