{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=spacegroup&page=543","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=spacegroup&page=541","results":[{"id":"jvasp-120499","created_at":"2022-09-04T14:38:53.089472Z","updated_at":"2022-09-04T14:38:53.089504Z","structure_string":"Sr4 Pr1 Mn5 O15\n1.0\n8.287450 -0.001035 2.220759\n6.513356 5.124257 2.220759\n-0.003705 -0.001283 6.641929\nSr Pr Mn O\n4 1 5 15\ndirect\n0.100108 0.100108 0.098792 Sr\n0.700197 0.700199 0.700386 Sr\n0.299802 0.299803 0.299615 Sr\n0.899891 0.899894 0.901208 Sr\n0.499999 0.500001 0.500000 Pr\n0.500000 0.500001 -0.000000 Mn\n0.299338 0.299339 0.801804 Mn\n0.899064 0.899066 0.400596 Mn\n0.100935 0.100936 0.599404 Mn\n0.700661 0.700663 0.198196 Mn\n0.599835 0.109622 0.599103 O\n0.000000 0.500000 -0.000000 O\n0.205536 0.697240 0.205850 O\n0.598272 0.598274 0.104980 O\n-0.000000 0.000000 0.500000 O\n0.798712 0.798714 0.305928 O\n0.697239 0.205537 0.205850 O\n0.401726 0.401728 0.895020 O\n0.500000 0.000000 0.000000 O\n0.890378 0.400165 0.400898 O\n0.794462 0.302762 0.794150 O\n0.109620 0.599837 0.599103 O\n0.302759 0.794465 0.794150 O\n0.201287 0.201288 0.694072 O\n0.400163 0.890380 0.400898 O\n","nsites":25,"nelements":4,"elements":["Sr","Pr","Mn","O"],"chemical_system":"Mn-O-Pr-Sr","density":5.920919093272543,"density_atomic":0.08860379519389512,"volume":282.1549567407528,"volume_molar":6.796707462498098,"formula_full":"Sr4 Pr1 Mn5 O15","formula_reduced":"Sr4PrMn5O15","formula_anonymous":"AB4C5D15","energy_above_hull":2.7983889518758622,"spacegroup":12},{"id":"jvasp-121971","created_at":"2022-09-04T14:38:53.176958Z","updated_at":"2022-09-04T14:38:53.176981Z","structure_string":"Cu2 Ag1 Se2 O10\n1.0\n5.039285 0.078822 2.332764\n1.378266 4.847781 2.332764\n0.052741 0.040488 7.888775\nCu Ag Se O\n2 1 2 10\ndirect\n0.000000 0.500000 -0.000000 Cu\n0.500000 -0.000000 -0.000000 Cu\n0.500000 0.500000 0.500000 Ag\n0.080740 0.080740 0.694551 Se\n0.919260 0.919259 0.305449 Se\n0.170776 0.170776 0.830911 O\n0.829224 0.829224 0.169089 O\n0.214976 0.214976 0.457757 O\n0.785024 0.785024 0.542243 O\n0.719945 0.189973 0.749223 O\n0.189973 0.719945 0.749223 O\n0.280055 0.810027 0.250777 O\n0.810027 0.280054 0.250777 O\n0.674251 0.674251 0.947211 O\n0.325748 0.325748 0.052789 O\n","nsites":15,"nelements":4,"elements":["Cu","Ag","Se","O"],"chemical_system":"Ag-Cu-O-Se","density":4.808454847297939,"density_atomic":0.07856360073920833,"volume":190.928112495664,"volume_molar":7.665306456600025,"formula_full":"Cu2 Ag1 Se2 O10","formula_reduced":"Cu2Ag(SeO5)2","formula_anonymous":"AB2C2D10","energy_above_hull":2.104972659555556,"spacegroup":12},{"id":"jvasp-120743","created_at":"2022-09-04T14:38:53.370640Z","updated_at":"2022-09-04T14:38:53.370668Z","structure_string":"Mn4 Ni1 O8\n1.0\n5.109946 -0.013723 2.810532\n1.921294 4.735015 2.810532\n0.093911 0.063059 5.720200\nMn Ni O\n4 1 8\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n-0.000000 0.499999 0.000000 Mn\n0.500000 0.000000 -0.000000 Mn\n0.500000 0.500000 -0.000000 Ni\n0.736783 0.736783 0.797163 O\n0.722732 0.236897 0.776176 O\n0.236896 0.722732 0.776176 O\n0.250718 0.250719 0.772086 O\n0.749282 0.749281 0.227913 O\n0.763104 0.277268 0.223823 O\n0.277268 0.763103 0.223824 O\n0.263217 0.263217 0.202837 O\n","nsites":13,"nelements":3,"elements":["Mn","Ni","O"],"chemical_system":"Mn-Ni-O","density":4.935853482003855,"density_atomic":0.09507344657818563,"volume":136.73639136779562,"volume_molar":6.334198429471647,"formula_full":"Mn4 Ni1 O8","formula_reduced":"Mn4NiO8","formula_anonymous":"AB4C8","energy_above_hull":3.401226874270557,"spacegroup":12},{"id":"jvasp-119739","created_at":"2022-09-04T14:38:53.333089Z","updated_at":"2022-09-04T14:38:53.333119Z","structure_string":"Li2 Fe3 Co1 O8\n1.0\n5.027459 0.031960 2.839257\n-1.622788 4.598006 2.821706\n-0.018435 0.006670 5.602276\nLi Fe Co O\n2 3 1 8\ndirect\n0.500000 0.500000 0.500001 Li\n0.500000 0.000000 0.500001 Li\n-0.000000 0.500000 0.000000 Fe\n-0.000000 0.500000 0.500001 Fe\n-0.000000 0.000000 0.500001 Fe\n0.000000 0.000000 0.000000 Co\n0.205414 0.735310 0.027147 O\n0.205414 0.237543 0.027147 O\n0.215861 0.738940 0.522122 O\n0.215021 0.237598 0.524805 O\n0.784978 0.762403 0.475197 O\n0.784138 0.261061 0.477879 O\n0.794585 0.762458 0.972855 O\n0.794585 0.264691 0.972855 O\n","nsites":14,"nelements":4,"elements":["Li","Fe","Co","O"],"chemical_system":"Co-Fe-Li-O","density":4.708345795647035,"density_atomic":0.10776855128897432,"volume":129.908028200731,"volume_molar":5.5880316548489395,"formula_full":"Li2 Fe3 Co1 O8","formula_reduced":"Li2Fe3CoO8","formula_anonymous":"AB2C3D8","energy_above_hull":2.9118361,"spacegroup":12},{"id":"jvasp-120937","created_at":"2022-09-04T14:38:53.634850Z","updated_at":"2022-09-04T14:38:53.634868Z","structure_string":"Na2 C1 N2\n1.0\n2.505020 -2.472838 0.004694\n2.505020 2.472838 0.004694\n-1.789941 0.000000 5.160019\nNa C N\n2 1 2\ndirect\n0.322497 0.322497 0.691586 Na\n0.677501 0.677501 0.308412 Na\n0.000000 0.000000 0.000000 C\n0.162759 0.162759 0.226670 N\n0.837240 0.837240 0.773329 N\n","nsites":5,"nelements":3,"elements":["Na","C","N"],"chemical_system":"C-N-Na","density":2.2325210338049932,"density_atomic":0.07816271581638383,"volume":63.969118111834355,"volume_molar":7.704620671250638,"formula_full":"Na2 C1 N2","formula_reduced":"Na2CN2","formula_anonymous":"AB2C2","energy_above_hull":3.0606409,"spacegroup":12},{"id":"jvasp-123685","created_at":"2022-09-04T14:38:55.079691Z","updated_at":"2022-09-04T14:38:55.079726Z","structure_string":"Nd1 Se2\n1.0\n2.235777 -3.785582 -0.603521\n2.160524 3.742135 -0.000000\n-0.727405 0.419967 5.872878\nNd Se\n1 2\ndirect\n-0.000000 0.333310 0.166667 Nd\n0.767861 0.717275 0.434174 Se\n0.232138 -0.050586 0.899160 Se\n","nsites":3,"nelements":2,"elements":["Nd","Se"],"chemical_system":"Nd-Se","density":5.282775906778543,"density_atomic":0.03158599042085153,"volume":94.9788168750772,"volume_molar":19.065860147999274,"formula_full":"Nd1 Se2","formula_reduced":"NdSe2","formula_anonymous":"AB2","energy_above_hull":null,"spacegroup":12},{"id":"jvasp-122010","created_at":"2022-09-04T14:38:53.540109Z","updated_at":"2022-09-04T14:38:53.540125Z","structure_string":"Li7 Co5 O12\n1.0\n14.021765 0.000995 2.330816\n13.733696 2.827632 2.330816\n0.002206 0.000225 4.911518\nLi Co O\n7 5 12\ndirect\n0.250009 0.250007 0.749838 Li\n0.420576 0.420573 0.916787 Li\n0.579425 0.579426 0.083216 Li\n0.923423 0.923423 0.429527 Li\n0.076578 0.076576 0.570475 Li\n0.749992 0.749992 0.250165 Li\n0.500000 0.500000 0.500001 Li\n0.666790 0.666789 0.662469 Co\n0.333211 0.333210 0.337533 Co\n0.833334 0.833332 0.837172 Co\n0.000000 0.000000 0.000000 Co\n0.166667 0.166667 0.162830 Co\n0.960801 0.960800 0.736011 O\n0.368888 0.368886 0.636014 O\n0.537567 0.537566 0.808651 O\n0.703526 0.703524 0.961583 O\n0.039200 0.039199 0.263991 O\n0.203636 0.203634 0.460576 O\n0.868265 0.868266 0.138306 O\n0.131736 0.131733 0.861696 O\n0.296475 0.296475 0.038419 O\n0.462433 0.462434 0.191351 O\n0.796365 0.796365 0.539426 O\n0.631113 0.631113 0.363988 O\n","nsites":24,"nelements":3,"elements":["Li","Co","O"],"chemical_system":"Co-Li-O","density":4.566079869790713,"density_atomic":0.12329696894157327,"volume":194.65198703605503,"volume_molar":4.884256938103411,"formula_full":"Li7 Co5 O12","formula_reduced":"Li7Co5O12","formula_anonymous":"A5B7C12","energy_above_hull":2.5971594375,"spacegroup":12},{"id":"jvasp-119731","created_at":"2022-09-04T14:38:53.644164Z","updated_at":"2022-09-04T14:38:53.644193Z","structure_string":"Co5 Bi1 O12\n1.0\n5.076849 -0.003524 -0.232428\n-2.551964 4.388837 -0.232428\n-0.445738 -0.774174 8.608013\nCo Bi O\n5 1 12\ndirect\n0.166536 0.833466 0.500000 Co\n0.666668 0.333334 -0.000000 Co\n0.333334 0.666668 -0.000000 Co\n0.833465 0.166536 0.500000 Co\n0.500001 0.500001 0.500000 Co\n0.000000 0.000000 0.000000 Bi\n0.582713 -0.039460 0.880351 O\n0.661618 0.661618 0.119631 O\n0.039462 0.417288 0.119648 O\n0.532859 0.200155 0.601485 O\n0.869182 0.869183 0.606540 O\n0.467143 0.799847 0.398514 O\n0.799847 0.467143 0.398514 O\n0.338383 0.338384 0.880368 O\n-0.039461 0.582713 0.880351 O\n0.417288 0.039462 0.119648 O\n0.200155 0.532859 0.601485 O\n0.130819 0.130819 0.393459 O\n","nsites":18,"nelements":3,"elements":["Co","Bi","O"],"chemical_system":"Bi-Co-O","density":6.083059430425699,"density_atomic":0.09478976263438794,"volume":189.8939241933489,"volume_molar":6.353155227561759,"formula_full":"Co5 Bi1 O12","formula_reduced":"Co5BiO12","formula_anonymous":"AB5C12","energy_above_hull":3.177023933333333,"spacegroup":12},{"id":"jvasp-111737","created_at":"2022-09-04T14:38:54.032005Z","updated_at":"2022-09-04T14:38:54.032032Z","structure_string":"Na3 Eu2 Ge2 Se6\n1.0\n7.254895 0.039341 1.153411\n-3.854690 6.146254 1.153411\n0.090785 0.165155 7.630795\nNa Eu Ge Se\n3 2 2 6\ndirect\n0.666072 0.333928 -0.000000 Na\n0.333928 0.666071 -0.000000 Na\n0.000000 0.000000 0.000000 Na\n0.833382 0.166618 0.500000 Eu\n0.166618 0.833382 0.500000 Eu\n0.559140 0.559139 0.320729 Ge\n0.440860 0.440861 0.679271 Ge\n0.219144 0.219144 0.253420 Se\n0.780856 0.780856 0.746580 Se\n0.582653 0.940722 0.261584 Se\n0.417347 0.059278 0.738416 Se\n0.059277 0.417347 0.738416 Se\n0.940723 0.582653 0.261584 Se\n","nsites":13,"nelements":4,"elements":["Na","Eu","Ge","Se"],"chemical_system":"Eu-Ge-Na-Se","density":4.863703011169314,"density_atomic":0.03838637291362678,"volume":338.661848287967,"volume_molar":15.688225541783869,"formula_full":"Na3 Eu2 Ge2 Se6","formula_reduced":"Na3Eu2(GeSe3)2","formula_anonymous":"A2B2C3D6","energy_above_hull":0.9361160846153844,"spacegroup":12},{"id":"jvasp-120368","created_at":"2022-09-04T14:38:54.071294Z","updated_at":"2022-09-04T14:38:54.071322Z","structure_string":"As2 C2\n1.0\n7.627025 -0.954384 -2.963831\n3.273324 -2.702954 0.294060\n3.401168 3.521728 -8.709881\nAs C\n2 2\ndirect\n-0.279494 -0.033743 0.238606 As\n0.723135 0.866611 0.735767 As\n0.720878 -0.106225 0.547993 C\n0.722764 -0.060907 0.426382 C\n","nsites":4,"nelements":2,"elements":["As","C"],"chemical_system":"As-C","density":3.517310338152766,"density_atomic":0.04873157148787991,"volume":82.0823108689373,"volume_molar":12.357780748970459,"formula_full":"As2 C2","formula_reduced":"AsC","formula_anonymous":"AB","energy_above_hull":3.161840875,"spacegroup":12},{"id":"jvasp-119744","created_at":"2022-09-04T14:38:53.703512Z","updated_at":"2022-09-04T14:38:53.703531Z","structure_string":"Li4 Ni3 O6 F1\n1.0\n4.921234 -0.028668 0.635872\n3.217800 3.723591 0.635872\n-0.028453 -0.012917 6.273904\nLi Ni O F\n4 3 6 1\ndirect\n0.424555 0.424553 0.711701 Li\n0.719087 0.719085 0.856832 Li\n0.280914 0.280913 0.143167 Li\n0.575446 0.575445 0.288298 Li\n0.142658 0.142656 0.571890 Ni\n0.000000 0.000000 0.000000 Ni\n0.857343 0.857342 0.428109 Ni\n0.195934 0.195932 0.854374 O\n0.658131 0.658130 0.561043 O\n0.941355 0.941353 0.703697 O\n0.804067 0.804067 0.145625 O\n0.341870 0.341869 0.438956 O\n0.058646 0.058646 0.296302 O\n0.500000 0.500000 -0.000000 F\n","nsites":14,"nelements":4,"elements":["Li","Ni","O","F"],"chemical_system":"F-Li-Ni-O","density":4.578869325513142,"density_atomic":0.12107814121149472,"volume":115.62780746315991,"volume_molar":4.973763802238053,"formula_full":"Li4 Ni3 O6 F1","formula_reduced":"Li4Ni3O6F","formula_anonymous":"AB3C4D6","energy_above_hull":1.6639884630357145,"spacegroup":12},{"id":"jvasp-120411","created_at":"2022-09-04T14:38:54.254287Z","updated_at":"2022-09-04T14:38:54.254315Z","structure_string":"Ti4 Pb2 O9 F2\n1.0\n5.744325 -0.009881 5.090161\n4.465998 3.612787 5.090161\n-0.004116 -0.001452 10.330647\nTi Pb O F\n4 2 9 2\ndirect\n0.660764 0.660767 0.774131 Ti\n0.339234 0.339235 0.225869 Ti\n0.621001 0.621003 0.453223 Ti\n0.378997 0.378999 0.546777 Ti\n0.082523 0.082523 0.159089 Pb\n0.917475 0.917478 0.840911 Pb\n0.379434 0.379435 0.353187 O\n0.620564 0.620567 0.646813 O\n0.561954 0.561956 0.335916 O\n0.438043 0.438046 0.664085 O\n0.852503 0.852506 0.569612 O\n0.147495 0.147496 0.430388 O\n0.802590 0.802593 0.240849 O\n0.197407 0.197409 0.759152 O\n0.499999 0.500001 -0.000000 O\n0.713993 0.713996 0.936564 F\n0.286005 0.286006 0.063436 F\n","nsites":17,"nelements":4,"elements":["Ti","Pb","O","F"],"chemical_system":"F-O-Pb-Ti","density":6.086869130702129,"density_atomic":0.0790942775996192,"volume":214.9333746501257,"volume_molar":7.613876683322781,"formula_full":"Ti4 Pb2 O9 F2","formula_reduced":"Ti4Pb2O9F2","formula_anonymous":"A2B2C4D9","energy_above_hull":2.569925119901961,"spacegroup":12}]}