A Guide to using the Battery app submodule

pymatgen
1

Hello

I am trying to obtain battery properties such as voltage, capacity etc using the battery submodule. The Abstract Voltage Pair makes use of MSONable sequences to get the data for a voltage pair which I want to use to determine its open circuit voltage. I am not able to properly understand how to implement this.

2

Hi @Nishant_Abishaik,
So each voltage pair essentially represents a facet of the phase diagram on which the chemical potential of the working ion is constant.
I’m not familiar enough with how the open-circuit voltage of batteries is used but judging from this post:


It looks very similar to how the voltage is defined.
If there is some algebra that can take you from the voltage to the OCV directly then you should implement it as a member @property of the AbstractVoltagePair, if you have to use the entry energies to calculate it then you should calculate it for each voltage pair (like we do for the voltage here https://github.com/materialsproject/pymatgen/blob/87050c36b7ccaa908e4586b766daf805eb237398/pymatgen/apps/battery/insertion_battery.py#L650) and then add that attribute to the dataclass.
3

Dear Sir,

I am a beginer for use pymatgen code to find voltage cathode battery,
When I saw the code in document “https://github.com/materialsproject/pymatgen/blob/87050c36b7ccaa908e4586b766daf805eb237398/pymatgen/apps/battery/insertion_battery.py#L650” , I think it is python laguage.
So how can I use that pymatgen code as a jupyter notebook language? Can you attached some code fro jupyter notebook for battery?
Thank you so much for heplping!