sorry, we can't preview this file
enthalpy_formation.json (2.43 MB)
Dataset of Experimental Formation Enthalpies for Intermetallic Phases and Other Inorganic Compounds Measured by Calorimetry
dataset
posted on 2017-10-20, 09:38 authored by George Kim, Susan Meschel, Philip Nash, Wei ChenEach entry in the dataset is a JSON object and corresponds to a compound. The JSON format is based on a series of key-value pairs. The JSON keys and their corresponding value data types are:
{"id":String}, {"composition":{String:Float},...},{"formula":String}, {"space_group:String}, {"pearson_symbol":String}, {"standard_enthalpy_formation":[[String, Float],[String, Float]]}, {"enthalpy_formation":[[String, Float],[String, Float]]}, {"ref_temp":Int}, {"uncertainty:{“standard_deviation”:[[String, Float],[String, Float]]}, {“standard_error”:[[String, Float],[String, Float]], “experimental_error”:[[String, Float],[String, Float]]}, {"notes":String}, {"citation":String}, {"calorimetry_method":String}, {"cas_reg_no:String}, {"mp_id":String}, {"mp_formation_energy":[[String, Float],[String, Float]]}, {"mp_e_above_hull":[[String, Float],[String, Float]]}, {"oqmd_id":String}, {"oqmd_formation_energy":[[String, Float],[String, Float]]}, {"oqmd_e_above_hull":[[String, Float],[String, Float]]}