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Materials Project
Materials Project
5:55 AM
Materials Project - Materials Science Community…: Cannot compeletely download the structure that I have searched using the API
posted on April 21, 2024 by AbbreviationNi

Hello, how are you? I’m trying to download the cif files of all the struture composed of only the Li/Na/K/Rb/Cs/Be/Mg/Ca/Sr/Ba/Al-Sb-O by API. The results of doc from summary.search() is 192,but I only get 45 structure files? Could anyone help me solve this probelm? 1 post - 1 participant Read full topic

 
 
14 hours later…
Feeds
Feeds
7:57 PM
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Q: Which properties can be directly obtained from Electron Charge Density (obtained from CHGCAR in VASP, etc.) and no other info?

Pranoy RayThe range of properties I have access to are the following: 'spg_number', 'formula', 'formation_energy_peratom', 'optb88vdw_bandgap', 'magmom_oszicar', 'elastic_tensor', 'effective_masses_300K', 'kpoint_length_unit', 'maxdiff_mesh', 'maxdiff_bz', 'encut', 'optb88vdw_total_energy', 'epsx', 'epsy',...

density-functional-theory physical-properties-of-materials atomistic-simulation charge-density
 

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