I want to draw a cubic (Pm3m) structure of CH3NH3PbI3 perovskite. How can I add the MA molecule (CH3NH3) to the A position of the ABX3 structure, like an element? I can draw a triclinic (P1) structure (perovskie1) but by changing its space group to cubic (Pm3m), it changes to a complicated structure (perovskite2).
Dear Hamid Shahivandi thank you for your interesting technical question. Personally I'm not an expert in the field. However, I suggest that you have a look at the answers to the following closely related RG thread:
Who can help me to construct the perovskite of CH3NH3PbI3?
https://www.researchgate.net/post/Who-can-help-me-to-construct-the-perovskite-of-CH3NH3PbI3
(13 answers)
Hi Dr Shahivandi;
I have the same problem; could I know how you fixed it, please?
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