The pyrolysis of coal with presence and absence of pyrite or Mo were carried out with different hearing ratios to study the coal bed gas formation process. The influence of pyrite and Mo on coal pyrolysis hydrocarbon-generating process was discussed. The results show that the mineral/transition metal elements make the coal have greater potential of hydrocarbon generation. Pyrite makes a positive and significant catalytic role to the methane generation. Heating rate affects the pyrite catalysis for saturated hydrocarbon, aromatic hydrocarbon and asphalt, indicating it would be an important factor for mineral/elements catalysis in the generation of hydrocarbons at geological geothermal conditions.