Semiconducting Materials from Analogy and Chemical Theory
View the code on Github here.
Contents:
- Introduction
- Getting Started
- Examples
- smact Python package
Element
Element.symbol
Element.name
Element.number
Element.pauling_eneg
Element.ionpot
Element.e_affinity
Element.dipol
Element.eig
Element.eig_s
Element.SSE
Element.SSEPauling
Element.oxidation_states
Element.oxidation_states_sp
Element.oxidation_states_icsd
Element.oxidation_states_wiki
Element.oxidation_states_custom
Element.coord_envs
Element.covalent_radius
Element.mass
Element.crustal_abundance
Element.HHI_p
Element.HHI_r
Species
are_eq()
element_dictionary()
lattices_are_same()
neutral_ratios()
neutral_ratios_iter()
ordered_elements()
- Submodules
- Structure Prediction Module
- Dopant Prediction Module
- smact.properties module
- smact.screening module
- smact.oxidation_states module
- smact.builder module
- smact.distorter module
- smact.lattice module
- smact.lattice_parameters module
- smact.data_loader module
float_or_None()
lookup_element_data()
lookup_element_hhis()
lookup_element_oxidation_states()
lookup_element_oxidation_states_custom()
lookup_element_oxidation_states_icsd()
lookup_element_oxidation_states_sp()
lookup_element_oxidation_states_wiki()
lookup_element_shannon_radius_data()
lookup_element_shannon_radius_data_extendedML()
lookup_element_sse2015_data()
lookup_element_sse_data()
lookup_element_sse_pauling_data()
set_warnings()