Related Experiment Video
Updated: Aug 14, 2026

Metal-silicate Partitioning at High Pressure and Temperature: Experimental Methods and a Protocol to Suppress Highly Siderophile Element Inclusions
Published on: June 13, 2015
Structure prediction of high-pressure phases for alkali metal sulfides
J C Schön1, Z Cancarević, M Jansen
1Max-Planck-Institut für Festkörperforschung Heisenbergstrasse 1, D-70569 Stuttgart, Germany.
Abstract:
For a given chemical system we present a systematic approach to predict structures, which may exist at high pressure, by investigating the global enthalpy landscape. We combine global optimizations, based on empirical potential energy functions, and local optimizations (volume, cell shape, and atomic positions) on both Hartree-Fock and density functional theory level. We predict the existence of high-pressure phases for the alkali metal sulfides of the composition M2S (M = Li, Na, K, Rb, Cs), together with the transition pressures among these phases.
More Related Videos
08:50Preparation of Large-area Vertical 2D Crystal Hetero-structures Through the Sulfurization of Transition Metal Films for Device Fabrication
Published on: November 28, 2017
07:20Discovery and Synthesis Optimization of Isoreticular Al(III) Phosphonate-Based Metal-Organic Framework Compounds Using High-Throughput Methods
Published on: October 6, 2023
Related Concept Videos
Alkali Metals
Table 1: Properties of the alkali metals
VSEPR Theory and the Basic Shapes
Predicting Molecular Geometry
Ionic Crystal Structures
Most monatomic ions behave as charged spheres, and their attraction for ions of opposite charge is the same in every direction. Consequently, stable structures for ionic compounds result (1) when ions of one charge are surrounded by as many ions as possible of the opposite...
Structure and Nomenclature of Thiols and Sulfides
Preparation and Reactions of Sulfides