Hi everyone - I’m new here. I often do simulations on a variety of topics, but whenever I’ve needed materials parameters I’ve always pieced them together out of data from random research papers I’ve found around the net. This is obviously slow, laborious, and error/inconsistency prone. I decided to see what was out there that might help and ran into the Materials Project. However, I’m not sure if it’s what I need.
- I started out trying to query for data for CH4 but it says that’s not in the database. Which I honestly do not believe
- The sort of data I’m trying to gather now is density with respect to temperature and pressure for a variety of compounds
- At times I need other basic properties such as specific heat, viscosity, entropy, enthalpy, etc also with respect to temperature and pressure.
- Also I sometimes need bulk properties like tensile strength, compressive strength, elastic modulus, etc (ideally with respect to temperature).
- Occasionally I need properties from materials where the isotopic ratios are abnormal, e.g. D2, D2O, deuterated polyethylene, etc
Can Materials Project handle these sorts of queries? Basically, my needs are for physics, not chemistry.
Also, I notice that there’s a reaction calculator. It wouldn’t perchance be possible to get reaction rates or arrhenius parameters, would it?
Lastly, I assume that it can’t handle “non-basic” properties of materials, like optical transmittance, gas permeability, etc. Because these vary so much between materials - for eaxmple, one manufacturer’s PTFE may have dramatically different properties than another’s in these regards.