$\texttt{Spglib}$: a software library for crystal symmetry search

Fuente: arXiv

Salvato in:

Dettagli Bibliografici
Autori principali:	Togo, Atsushi, Shinohara, Kohei, Tanaka, Isao
Natura:	Preprint
Pubblicazione:	2018
Soggetti:	Materials Science
Accesso online:	Acceder al recurso
Tags:	Aggiungi Tag Nessun Tag, puoi essere il primo ad aggiungerne!!

Documenti analoghi

Algorithm for spin symmetry operation search
di: Shinohara, Kohei, et al.
Pubblicazione: (2023)

DynaPhoPy: A code for extracting phonon quasiparticles from molecular dynamics simulations
di: Carreras, Abel, et al.
Pubblicazione: (2017)

Finding well-optimized special quasirandom structures with decision diagram
di: Shinohara, Kohei, et al.
Pubblicazione: (2021)

Symmetry analysis with spin crystallographic groups: Disentangling effects free of spin-orbit coupling in emergent electromagnetism
di: Watanabe, Hikaru, et al.
Pubblicazione: (2023)

Layer group classification of two-dimensional materials
di: Fu, Jingheng, et al.
Pubblicazione: (2024)

On-the-fly training of polynomial machine learning potentials in computing lattice thermal conductivity
di: Togo, Atsushi, et al.
Pubblicazione: (2024)

Derivative structure enumeration using binary decision diagram
di: Shinohara, Kohei, et al.
Pubblicazione: (2020)

Projector-based efficient estimation of force constants
di: Seko, Atsuto, et al.
Pubblicazione: (2024)

Global structure searches under varying temperatures and pressures using polynomial machine learning potentials: A case study on silicon
di: Wakai, Hayato, et al.
Pubblicazione: (2025)

Symmetry-aware Conditional Generation of Crystal Structures Using Diffusion Models
di: Ishii, Takanori, et al.
Pubblicazione: (2026)

Symmetr: a Python package for determining symmetry properties of crystals
di: Železný, Jakub
Pubblicazione: (2026)

Mathematical crystal chemistry II: Random search for ionic crystals and analysis on oxide crystals registered in ICSD
di: Koshoji, Ryotaro
Pubblicazione: (2025)

Ab initio calculations of the thermoelectric figure of merit, within the relaxation time approximation
di: Chaput, Laurent, et al.
Pubblicazione: (2025)

Breaking symmetry with light: photo-induced chirality in a non-chiral crystal
di: Zeng, Z., et al.
Pubblicazione: (2024)

A symmetry-oriented crystal structure prediction method for crystals with rigid bodies
di: Zhang, Qi, et al.
Pubblicazione: (2024)

Systematic Magnetic Structure Generation Based on Oriented Spin Space Groups: Formulation, Applications, and High-Throughput First-Principles Calculations
di: Nomoto, Takuya, et al.
Pubblicazione: (2026)

Predictive power of polynomial machine learning potentials for liquid states in 22 elemental systems
di: Wakai, Hayato, et al.
Pubblicazione: (2024)

Efficient all-electron Bethe-Salpeter implementation using crystal symmetries
di: Stöhler, Jörn, et al.
Pubblicazione: (2026)

Computational search for materials having a giant anomalous Hall effect in the pyrochlore and spinel crystal structures
di: Sullivan, Sean, et al.
Pubblicazione: (2025)

$Δ$SCF in \texttt{VASP} for excited-state defect computations: tips and pitfalls
di: Xiong, Yihuang, et al.
Pubblicazione: (2025)

Formulation of perfect-crystal diffraction from Takagi-Taupin equations. Numerical implementation in the crystalpy library
di: Guigay, Jean-Pierre, et al.
Pubblicazione: (2024)

Representations of the symmetry groups of infinite crystals
di: Bekka, Bachir, et al.
Pubblicazione: (2025)

Grad DFT: a software library for machine learning enhanced density functional theory
di: Casares, Pablo A. M., et al.
Pubblicazione: (2023)

A method for crystallographic mapping of an alpha-beta titanium alloy with nanometre resolution using scanning precession electron diffraction and open-source software libraries
di: MacLaren, Ian, et al.
Pubblicazione: (2023)

Coherent control of the translational and point group symmetries of crystals with light
di: Khalsa, Guru, et al.
Pubblicazione: (2023)

Impact of crystal symmetries and Weyl nodes on high-harmonic generation in Weyl semimetal TaAs
di: Zhang, Xiao, et al.
Pubblicazione: (2024)

Discovering classical spin liquids by topological search of high symmetry nets
di: Paddison, Joseph A. M., et al.
Pubblicazione: (2024)

Effect of crystal symmetry of lead halide perovskites on the optical orientation of excitons
di: Kopteva, Nataliia E., et al.
Pubblicazione: (2024)

An altermagnetic materials library in intercalated transition-metal dichalcogenides
di: Day-Roberts, Ezra, et al.
Pubblicazione: (2026)

Optical library of Ga2O3 polymorphs
di: Galeckas, Augustinas, et al.
Pubblicazione: (2024)

Dynamic breaking of axial symmetry of acoustic waves in crystals as the origin of nonlinear elasticity and chaos: Analytical model and MD simulations
di: Kozioł, Zbigniew
Pubblicazione: (2025)

Recent Progress in Ultrafast Dynamics of Transition-Metal Compounds Studied by Time-Resolved X-ray Techniques
di: Wadati, Hiroki, et al.
Pubblicazione: (2026)

Driving force of atomic ordering in Fe$_{1-x}$Pt$_{x}$, investigated by density functional theory and machine-learning interatomic potentials Monte Carlo simulations
di: Tsuyama, Tomoyuki, et al.
Pubblicazione: (2024)

Efficient Crystal Structure Prediction Using Universal Neural Network Potential with Diversity Preservation in Genetic Algorithms
di: Shibayama, Takuya, et al.
Pubblicazione: (2025)

Role of symmetry in the orientationally disordered crystals of hard convex polyhedra
di: Kundu, Sumitava, et al.
Pubblicazione: (2024)

Mechanism of ferromagnetism enhancement in a La$_{2/3}$ Sr$_{1/3}$ MnO$_3$ membrane released from epitaxial strain
di: Takeda, Takahito, et al.
Pubblicazione: (2024)

Cascading symmetry constraint during machine learning-enabled structural search for sulfur induced Cu(111)-$(\sqrt{43}\times\sqrt{43})$ surface reconstruction
di: Brix, Florian, et al.
Pubblicazione: (2025)

Charge transfer-induced Lifshitz transition and magnetic symmetry breaking in ultrathin CrSBr crystals
di: Bianchi, Marco, et al.
Pubblicazione: (2023)

Matlantis-PFP v8: Universal Machine Learning Interatomic Potential with Better Experimental Agreements via r2SCAN Functional
di: Shinagawa, Chikashi, et al.
Pubblicazione: (2026)

Growth and Characterization of Superconducting Bulk Crystal [(SnSe)$_{1+δ}$]$_m$(NbSe$_2$) Misfit Layer Compounds
di: Shu, Ryufa, et al.
Pubblicazione: (2024)