Cover Image

High-Pressure Crystal Structure Database

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Wang, Zhenyu, Wang, Qingchang, Duan, Junwen, Ge, Heng, Luo, Xiaoshan, Gao, Pengyue, Zhang, Wei, Lv, Jian, Wang, Yanchao, Ma, Yanming
Format:	Preprint
Published:	2026
Subjects:	Materials Science Computational Physics
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

CrystalFlow: A Flow-Based Generative Model for Crystalline Materials
by: Luo, Xiaoshan, et al.
Published: (2024)

Deep learning generative model for crystal structure prediction
by: Luo, Xiaoshan, et al.
Published: (2024)

OpenCSP: A Deep Learning Framework for Crystal Structure Prediction from Ambient to High Pressure
by: Wang, Yinan, et al.
Published: (2025)

Bridging Theory and Experiment in Materials Discovery: Machine-Learning-Assisted Prediction of Synthesizable Structures
by: Xin, Yu, et al.
Published: (2025)

Theory of polarization-switchable electrical conductivity anisotropy in nonpolar semiconductors
by: Zhao, Hong Jian, et al.
Published: (2024)

Space Group Informed Transformer for Crystalline Materials Generation
by: Cao, Zhendong, et al.
Published: (2024)

Engineering ferroelectricity in monoclinic hafnia
by: Zhao, Hong Jian, et al.
Published: (2023)

Pressure-tuned double-dome superconductivity in KZnBi with honeycomb lattice
by: Pei, Cuiying, et al.
Published: (2026)

Conditional Generative Modeling for Amorphous Multi-Element Materials
by: Li, Honglin, et al.
Published: (2025)

Magnetic Structures Database from Symmetry-aided High-Throughput Calculations
by: Zhou, Hanjing, et al.
Published: (2026)

Plastic inorganic Sn2BiS2I3 semiconductor enabled deformable and flexible electronic tongue for heavy metal detection
by: Wang, Qiao, et al.
Published: (2025)

FF7: A Code Package for High-throughput Calculations and Constructing Materials Database
by: Ma, Tiancheng, et al.
Published: (2025)

Bridging Crystal Structure and Material Properties via Bond-Centric Descriptors
by: Zhang, Jian-Feng, et al.
Published: (2026)

Accelerating Crystal Structure Prediction Using Data-Derived Potentials: High-Pressure Binary Hydrides
by: Conway, Lewis J., et al.
Published: (2025)

The nature of polar distortions in ferroelectrics
by: Zhao, Hong Jian, et al.
Published: (2025)

High Pressure Growth of Transition-Metal Monosilicide RhGe Single Crystals
by: Dong, Xiangjiang, et al.
Published: (2025)

PolyCrysDiff: Controllable Generation of Three-Dimensional Computable Polycrystalline Material Structures
by: Chen, Chi, et al.
Published: (2026)

Fast and stable tight-binding framework for nonlocal kinetic energy density functional reconstruction in orbital-free density functional calculations
by: Chen, Yongshuo, et al.
Published: (2024)

Integrated Lennard-Jones Potential between a Sphere and a Thin Rod
by: Wang, Junwen, et al.
Published: (2024)

Significant Impact of Quantum and Anharmonic Effects on the Structural Stability and Superconductivity of NbH3 at High Pressures
by: Hou, Pugeng, et al.
Published: (2024)

Interface-dependent Phase Transitions and Ultrafast Hydrogen Superionic Diffusion of H2O Ice
by: Hou, Pengfei, et al.
Published: (2026)

MatLLMSearch: Crystal Structure Discovery with Evolution-Guided Large Language Models
by: Gan, Jingru, et al.
Published: (2025)

Quantum Anharmonic Effects in Hydrogen-Bond Symmetrization of High-Pressure Ice
by: Zhang, Qi, et al.
Published: (2025)

Electrically switchable non-relativistic Zeeman spin splittings in collinear antiferromagnets
by: Yu, Longju, et al.
Published: (2025)

Determinants of Self-Interstitial Energetics in Refractory High-Entropy Alloys
by: Zhang, Zichen, et al.
Published: (2026)

Scalable Crystal Structure Relaxation Using an Iteration-Free Deep Generative Model with Uncertainty Quantification
by: Yang, Ziduo, et al.
Published: (2024)

Tunable Dual-Type Weyl Points in Dirac-Weyl Semimetal CaAgBi
by: Huang, Shenghao, et al.
Published: (2026)

Activation of Inner-Shell 4p-Orbital Electrons of Rubidium Driven by Asymmetric Coordination at High Pressure
by: Ma, Shuran, et al.
Published: (2026)

Enhance Ferroelectric Structural Distortion via Doping Ca in Epitaxial h-Lu1-xCaxMnO3 Thin Films
by: Yang, Detian, et al.
Published: (2024)

Correlating Local Lattice Distortion with Dislocation Pinning in Refractory High-Entropy Alloys
by: Luo, Zhiling, et al.
Published: (2023)

An Efficient High-Degree, High-Order Equivariant Graph Neural Network for Direct Crystal Structure Optimization
by: Yang, Ziduo, et al.
Published: (2026)

Weyl Semimetallic Phase in High Pressure CrSb$_2$ and Structural Compression Studies of its High Pressure Polymorphs
by: Linnemann, Carl Jonas, et al.
Published: (2024)

Theoretical Study on the Structural and Thermodynamic Properties of U-He compounds under High Pressure
by: Cao, Ye, et al.
Published: (2024)

Equivariant Atomic and Lattice Modeling Using Geometric Deep Learning for Crystal Structure Optimization
by: Yang, Ziduo, et al.
Published: (2025)

Self-Optimizing Machine Learning Potential Assisted Automated Workflow for Highly Efficient Complex Systems Material Design
by: Li, Jiaxiang, et al.
Published: (2025)

Crystal-Structure Matches in Solid-Solid Phase Transitions
by: Wang, Fang-Cheng, et al.
Published: (2023)

Generative AI for Crystal Structures: A Review
by: De Breuck, Pierre-Paul, et al.
Published: (2025)

Grain Boundary Segregation Models for High-Entropy Alloys: Theoretical Formulation and Derived Analytical Expressions to Elucidate High-Entropy Grain Boundaries
by: Luo, Jian
Published: (2024)

General theory for longitudinal nonreciprocal charge transport
by: Zhao, Hong Jian, et al.
Published: (2024)

The anti-symmetric and anisotropic symmetric exchange interactions between electric dipoles in hafnia
by: Yu, Longju, et al.
Published: (2023)