{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=created_at&page=484","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=created_at&page=482","results":[{"id":"jvasp-66533","created_at":"2022-09-04T14:35:56.667782Z","updated_at":"2022-09-04T14:35:56.667802Z","structure_string":"Ba4 Tc1 Sn1\n1.0\n-0.000000 4.814776 4.814776\n4.814776 -0.000000 4.814776\n4.814776 4.814776 0.000000\nBa Tc Sn\n4 1 1\ndirect\n0.124152 0.625284 0.625284 Ba\n0.625284 0.625284 0.625284 Ba\n0.625284 0.124152 0.625284 Ba\n0.625284 0.625284 0.124152 Ba\n0.000000 0.000000 0.000000 Tc\n0.250000 0.250000 0.250000 Sn\n","nsites":6,"nelements":3,"elements":["Ba","Tc","Sn"],"chemical_system":"Ba-Sn-Tc","density":5.698096704144464,"density_atomic":0.026877755166308217,"volume":223.23292860116217,"volume_molar":22.40566863838714,"formula_full":"Ba4 Tc1 Sn1","formula_reduced":"Ba4TcSn","formula_anonymous":"ABC4","energy_above_hull":1.0613978466666665,"spacegroup":216},{"id":"jvasp-42824","created_at":"2022-09-04T14:35:56.668018Z","updated_at":"2022-09-04T14:35:56.668048Z","structure_string":"Li2 Ti2 Mn2 O8\n1.0\n5.775131 -0.000000 -0.000000\n2.887566 5.059169 -0.064694\n2.887566 1.625395 4.791395\nLi Ti Mn O\n2 2 2 8\ndirect\n0.124918 0.125082 0.125082 Li\n0.875083 0.874918 0.874918 Li\n0.500001 -0.000000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000001 0.500000 0.500000 Mn\n0.500001 0.500000 0.500000 Mn\n0.260471 0.260735 0.260735 O\n0.257869 0.270736 0.713527 O\n0.257868 0.713527 0.270736 O\n0.718061 0.260735 0.260735 O\n0.281941 0.739265 0.739265 O\n0.742133 0.729264 0.286473 O\n0.742133 0.286472 0.729263 O\n0.739531 0.739265 0.739265 O\n","nsites":14,"nelements":4,"elements":["Li","Ti","Mn","O"],"chemical_system":"Li-Mn-O-Ti","density":4.1039792645185535,"density_atomic":0.09957382079163256,"volume":140.59920457703734,"volume_molar":6.0479157193353945,"formula_full":"Li2 Ti2 Mn2 O8","formula_reduced":"LiTiMnO4","formula_anonymous":"ABCD4","energy_above_hull":2.6360799392446634,"spacegroup":74},{"id":"jvasp-90287","created_at":"2022-09-04T14:35:56.668425Z","updated_at":"2022-09-04T14:35:56.668457Z","structure_string":"U3 Co3 Sn3\n1.0\n0.000000 0.000000 -4.019631\n-3.538402 -6.128692 0.000000\n-3.538725 6.128878 0.000000\nU Co Sn\n3 3 3\ndirect\n0.500000 0.583194 -0.000000 U\n0.500000 0.416806 0.416759 U\n0.500000 0.000047 0.583241 U\n0.000000 0.333283 0.666654 Co\n0.000000 0.666630 0.333347 Co\n0.500000 -0.000005 0.000000 Co\n0.000000 0.251864 -0.000000 Sn\n0.000000 0.748103 0.748125 Sn\n0.000000 0.999979 0.251875 Sn\n","nsites":9,"nelements":3,"elements":["U","Co","Sn"],"chemical_system":"Co-Sn-U","density":11.876915613546727,"density_atomic":0.05162082573051479,"volume":174.34823780201177,"volume_molar":11.666106992240756,"formula_full":"U3 Co3 Sn3","formula_reduced":"UCoSn","formula_anonymous":"ABC","energy_above_hull":2.8048328666666675,"spacegroup":189},{"id":"jvasp-90438","created_at":"2022-09-04T14:35:56.672167Z","updated_at":"2022-09-04T14:35:56.672189Z","structure_string":"Fe2 Ag2 Se4\n1.0\n4.165790 4.165790 0.000000\n-4.165790 0.000000 5.454261\n4.165790 -4.165790 0.000000\nFe Ag Se\n2 2 4\ndirect\n0.750000 0.500000 0.250000 Fe\n0.500000 0.000000 0.500000 Fe\n0.250000 0.500000 0.750000 Ag\n0.000000 0.000000 0.000000 Ag\n0.125000 0.750000 0.164067 Se\n0.625000 0.750000 0.585933 Se\n0.414067 0.250000 0.875000 Se\n0.835933 0.250000 0.375000 Se\n","nsites":8,"nelements":3,"elements":["Fe","Ag","Se"],"chemical_system":"Ag-Fe-Se","density":5.642600547965783,"density_atomic":0.04225998406140414,"volume":189.30437807018401,"volume_molar":14.250220140286316,"formula_full":"Fe2 Ag2 Se4","formula_reduced":"FeAgSe2","formula_anonymous":"ABC2","energy_above_hull":1.471372373333333,"spacegroup":122},{"id":"jvasp-62270","created_at":"2022-09-04T14:35:56.676756Z","updated_at":"2022-09-04T14:35:56.676784Z","structure_string":"Dy6 Al2 Co2 S14\n1.0\n4.732748 -8.197360 -0.000000\n4.732749 8.197359 -0.000000\n0.000000 0.000000 6.153461\nDy Al Co S\n6 2 2 14\ndirect\n0.159675 0.784632 0.774805 Dy\n0.624957 0.840325 0.774805 Dy\n0.215369 0.375043 0.774805 Dy\n0.840325 0.215369 0.274805 Dy\n0.375043 0.159675 0.274805 Dy\n0.784632 0.624957 0.274805 Dy\n0.333333 0.666667 0.347966 Al\n0.666667 0.333333 0.847966 Al\n0.000000 0.000000 0.935490 Co\n0.000000 0.000000 0.435490 Co\n0.914252 0.476998 0.000299 S\n0.523002 0.437253 0.000299 S\n0.562747 0.085748 0.000299 S\n0.085748 0.523002 0.500299 S\n0.476998 0.562747 0.500299 S\n0.437254 0.914252 0.500299 S\n0.773691 0.900587 0.180497 S\n0.226309 0.099414 0.680497 S\n0.900587 0.126895 0.680497 S\n0.126895 0.226309 0.180497 S\n0.333333 0.666667 0.985734 S\n0.099414 0.873105 0.180497 S\n0.873106 0.773691 0.680497 S\n0.666667 0.333333 0.485734 S\n","nsites":24,"nelements":4,"elements":["Dy","Al","Co","S"],"chemical_system":"Al-Co-Dy-S","density":5.549760322277193,"density_atomic":0.05026600676644484,"volume":477.45984898926247,"volume_molar":11.980543407757008,"formula_full":"Dy6 Al2 Co2 S14","formula_reduced":"Dy3AlCoS7","formula_anonymous":"ABC3D7","energy_above_hull":2.1410960999999995,"spacegroup":173},{"id":"jvasp-95208","created_at":"2022-09-04T14:35:56.680945Z","updated_at":"2022-09-04T14:35:56.680954Z","structure_string":"Na8 Cu4 H16 O16\n1.0\n6.709794 0.000000 0.000000\n0.000000 6.672857 0.000000\n0.000000 0.000000 9.018354\nNa Cu H O\n8 4 16 16\ndirect\n0.998186 0.795000 0.748265 Na\n0.001813 0.205001 0.248265 Na\n0.501813 0.295000 0.248265 Na\n0.498187 0.705001 0.748265 Na\n0.758003 0.494325 0.498184 Na\n0.241996 0.505676 0.998184 Na\n0.741996 0.994325 0.998184 Na\n0.258004 0.005676 0.498184 Na\n0.267880 0.006983 0.998741 Cu\n0.732120 0.993018 0.498741 Cu\n0.232120 0.506983 0.498741 Cu\n0.767879 0.493017 0.998741 Cu\n0.498953 0.260506 0.902359 H\n0.501046 0.739495 0.402359 H\n0.001047 0.760506 0.402359 H\n-0.001047 0.239494 0.902359 H\n0.488187 0.289320 0.599874 H\n0.511813 0.710681 0.099874 H\n0.988186 0.210681 0.599874 H\n0.011813 0.789320 0.099874 H\n0.768581 0.664272 0.238801 H\n0.268581 0.835729 0.238801 H\n0.731418 0.164272 0.738801 H\n0.590762 0.957658 0.254723 H\n0.409237 0.042343 0.754723 H\n0.909237 0.457657 0.754723 H\n0.090763 0.542343 0.254723 H\n0.231419 0.335729 0.738801 H\n0.032295 0.720329 0.503896 O\n0.967705 0.279671 0.003896 O\n0.052277 0.807874 0.996738 O\n0.947723 0.192127 0.496738 O\n0.447723 0.307873 0.496738 O\n0.552276 0.692127 0.996738 O\n0.294500 0.979553 0.221710 O\n0.265645 0.022485 0.774907 O\n0.205500 0.479553 0.721709 O\n0.794500 0.520447 0.221710 O\n0.734354 0.977515 0.274907 O\n0.234355 0.522485 0.274907 O\n0.765645 0.477515 0.774907 O\n0.532295 0.779672 0.503896 O\n0.705499 0.020447 0.721709 O\n0.467705 0.220329 0.003896 O\n","nsites":44,"nelements":4,"elements":["Na","Cu","H","O"],"chemical_system":"Cu-H-Na-O","density":2.9207438011911386,"density_atomic":0.10896935814071979,"volume":403.7832354961632,"volume_molar":5.526453365195733,"formula_full":"Na8 Cu4 H16 O16","formula_reduced":"Na2Cu(HO)4","formula_anonymous":"AB2C4D4","energy_above_hull":1.882481131818181,"spacegroup":33},{"id":"jvasp-15822","created_at":"2022-09-04T14:35:56.686644Z","updated_at":"2022-09-04T14:35:56.686672Z","structure_string":"Sn2 P6\n1.0\n5.593711 0.032338 0.628381\n0.565327 5.565164 0.628381\n0.035581 0.032338 5.628783\nSn P\n2 6\ndirect\n0.744201 0.744200 0.744200 Sn\n0.255800 0.255800 0.255799 Sn\n0.202020 0.202020 0.743173 P\n0.202020 0.743173 0.202019 P\n0.797980 0.256827 0.797979 P\n0.797981 0.797980 0.256826 P\n0.256827 0.797980 0.797980 P\n0.743173 0.202020 0.202019 P\n","nsites":8,"nelements":2,"elements":["Sn","P"],"chemical_system":"P-Sn","density":4.018668083550647,"density_atomic":0.04574179051243828,"volume":174.8947715071322,"volume_molar":13.165511652549842,"formula_full":"Sn2 P6","formula_reduced":"SnP3","formula_anonymous":"AB3","energy_above_hull":2.32001455,"spacegroup":166},{"id":"jvasp-97342","created_at":"2022-09-04T14:35:56.688973Z","updated_at":"2022-09-04T14:35:56.689012Z","structure_string":"Sm4 Zr4 F28\n1.0\n5.684594 0.000000 0.000000\n0.000000 8.725988 -2.718025\n0.000000 0.041627 11.434367\nSm Zr F\n4 4 28\ndirect\n0.241542 0.420225 0.234186 Sm\n0.258457 0.920226 0.734186 Sm\n0.741542 0.079775 0.265814 Sm\n0.758457 0.579775 0.765814 Sm\n0.244182 0.771306 0.044016 Zr\n0.744182 0.728695 0.455983 Zr\n0.755817 0.228695 0.955984 Zr\n0.255818 0.271306 0.544017 Zr\n0.903059 0.306197 0.269075 F\n0.970825 0.368403 0.642170 F\n0.096941 0.693804 0.730925 F\n0.596940 0.806197 0.769075 F\n0.548806 0.581102 0.323918 F\n0.048806 0.918899 0.176082 F\n0.451194 0.418899 0.676082 F\n0.951193 0.081102 0.823918 F\n0.470825 0.131598 0.857830 F\n0.403059 0.193804 0.230925 F\n0.549553 0.370976 0.083665 F\n0.260286 0.420846 0.444034 F\n0.049553 0.129025 0.416335 F\n0.450447 0.629025 0.916335 F\n0.950446 0.870976 0.583665 F\n0.558662 0.183058 0.455853 F\n0.058662 0.316942 0.044147 F\n0.441338 0.816942 0.544147 F\n0.029174 0.631598 0.357830 F\n0.941337 0.683059 0.955853 F\n0.720461 0.885966 0.363852 F\n0.779538 0.385966 0.863853 F\n0.279538 0.114034 0.636148 F\n0.239713 0.920847 0.944034 F\n0.739713 0.579154 0.555966 F\n0.760286 0.079154 0.055966 F\n0.220462 0.614034 0.136147 F\n0.529174 0.868403 0.142170 F\n","nsites":36,"nelements":3,"elements":["Sm","Zr","F"],"chemical_system":"F-Sm-Zr","density":4.381541837517428,"density_atomic":0.06339924871823743,"volume":567.8300725611633,"volume_molar":9.498757290900942,"formula_full":"Sm4 Zr4 F28","formula_reduced":"SmZrF7","formula_anonymous":"ABC7","energy_above_hull":0.1775628169444447,"spacegroup":14},{"id":"jvasp-70825","created_at":"2022-09-04T14:35:56.689114Z","updated_at":"2022-09-04T14:35:56.689130Z","structure_string":"Be1 Co1 Os2\n1.0\n2.724277 0.000000 0.000000\n0.000000 2.724277 0.000000\n0.000000 0.000000 6.346465\nBe Co Os\n1 1 2\ndirect\n0.000000 0.000000 0.521341 Be\n0.500000 0.500000 0.710664 Co\n0.000000 0.000000 0.986783 Os\n0.500000 0.500000 0.281214 Os\n","nsites":4,"nelements":3,"elements":["Be","Co","Os"],"chemical_system":"Be-Co-Os","density":15.808311762330023,"density_atomic":0.08492304822973976,"volume":47.10146518974355,"volume_molar":7.091291334371894,"formula_full":"Be1 Co1 Os2","formula_reduced":"BeCoOs2","formula_anonymous":"ABC2","energy_above_hull":4.2458117500000006,"spacegroup":99},{"id":"jvasp-90275","created_at":"2022-09-04T14:35:56.691273Z","updated_at":"2022-09-04T14:35:56.691302Z","structure_string":"Li3 Dy3 Ge3\n1.0\n0.000000 0.000000 -4.235770\n-3.514059 -6.086528 0.000000\n-3.514253 6.086640 0.000000\nLi Dy Ge\n3 3 3\ndirect\n0.500000 0.233140 -0.000000 Li\n0.500000 0.766838 0.766850 Li\n0.500000 0.999989 0.233150 Li\n0.000000 0.577035 -0.000000 Dy\n0.000000 0.422934 0.422948 Dy\n0.000000 0.999987 0.577052 Dy\n0.000000 -0.000012 0.000000 Ge\n0.500000 0.333325 0.666661 Ge\n0.500000 0.666664 0.333339 Ge\n","nsites":9,"nelements":3,"elements":["Li","Dy","Ge"],"chemical_system":"Dy-Ge-Li","density":6.655398039342422,"density_atomic":0.04966900808481308,"volume":181.19951146662544,"volume_molar":12.12454404105836,"formula_full":"Li3 Dy3 Ge3","formula_reduced":"LiDyGe","formula_anonymous":"ABC","energy_above_hull":0.6076208166666666,"spacegroup":189},{"id":"jvasp-89953","created_at":"2022-09-04T14:35:56.693603Z","updated_at":"2022-09-04T14:35:56.693622Z","structure_string":"Te1 Br6 N2\n1.0\n-5.133272 -5.133272 0.000000\n-5.133272 0.000000 -5.133272\n-0.000000 -5.133272 -5.133272\nTe Br N\n1 6 2\ndirect\n0.000000 0.000000 0.000000 Te\n0.743461 0.256539 0.256539 Br\n0.743461 0.256539 0.743461 Br\n0.743461 0.743461 0.256539 Br\n0.256539 0.743461 0.743461 Br\n0.256539 0.743461 0.256539 Br\n0.256539 0.256539 0.743461 Br\n0.250000 0.250000 0.250000 N\n0.750000 0.750000 0.750000 N\n","nsites":9,"nelements":3,"elements":["Te","Br","N"],"chemical_system":"Br-N-Te","density":3.8979438061906784,"density_atomic":0.033268229013293196,"volume":270.5283769810474,"volume_molar":18.101777397269014,"formula_full":"Te1 Br6 N2","formula_reduced":"Te(Br3N)2","formula_anonymous":"AB2C6","energy_above_hull":1.5287187662962962,"spacegroup":225},{"id":"jvasp-99062","created_at":"2022-09-04T14:35:56.695854Z","updated_at":"2022-09-04T14:35:56.695882Z","structure_string":"Cu6 Bi2 Se4 Cl2 O16\n1.0\n6.390520 0.000000 0.000000\n-0.000000 7.214070 0.000000\n0.000000 0.000000 9.728592\nCu Bi Se Cl O\n6 2 4 2 16\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.000000 0.500000 Cu\n0.750000 0.207424 0.750000 Cu\n0.250000 0.792576 0.250000 Cu\n0.750000 0.745169 0.750000 Bi\n0.250000 0.254831 0.250000 Bi\n0.250000 0.601184 0.941925 Se\n0.750000 0.398816 0.058075 Se\n0.750000 0.398816 0.441925 Se\n0.250000 0.601184 0.558075 Se\n0.750000 0.844259 0.250000 Cl\n0.250000 0.155741 0.750000 Cl\n0.038948 0.750124 0.583913 O\n0.250000 0.583611 0.118048 O\n0.750000 0.416389 0.881952 O\n0.961052 0.249876 0.083913 O\n0.461052 0.750124 0.916087 O\n0.538948 0.249876 0.416087 O\n0.038948 0.750124 0.916087 O\n0.750000 0.009501 0.886965 O\n0.461052 0.750124 0.583913 O\n0.961052 0.249876 0.416087 O\n0.250000 0.990499 0.386965 O\n0.750000 0.009501 0.613034 O\n0.250000 0.990499 0.113034 O\n0.750000 0.416389 0.618048 O\n0.538948 0.249876 0.083913 O\n0.250000 0.583611 0.381952 O\n","nsites":30,"nelements":5,"elements":["Cu","Bi","Se","Cl","O"],"chemical_system":"Bi-Cl-Cu-O-Se","density":5.338751981284012,"density_atomic":0.06688900166479891,"volume":448.50422720224026,"volume_molar":9.00318529222304,"formula_full":"Cu6 Bi2 Se4 Cl2 O16","formula_reduced":"Cu3BiSe2ClO8","formula_anonymous":"ABC2D3E8","energy_above_hull":1.7461709633888889,"spacegroup":59}]}