Prediction of thermally driven quasi-1D superionic states in carbon hydride under giant planetary conditions

convexhull.tar contains all VASP relaxation and phonon data of the C-H compound. kkr.tar contains an example of how we calculate the electrical and thermal conductivity of an MD snapshot at 1000 GPa and 2000 K. md.tar contains a DFT-MD simulation of quasi-1d superionic state at 1000 GPa and 2000 K by VASP. deepmd.tar contains an MLP-MD simulation of a quasi-1d superionic state in a defect cell at 1000 GPa and 2000 K by DeepMD-kit. magus.tar contains our crystal structure prediction of a C-H compound at 1000, 2000, and 3000 GPa.