Inspired by the synthesis of X B3C3 (X= Sr, La) compounds in the bipartite sodalite clathrate
structure, density functional theory (DFT) calculations are performed on members of this …

We report a high-throughput ab initio study of the thermodynamic and superconducting
properties of the recently synthesized XB 3 C 3 clathrates. These compounds, in which …

Clathrates are inclusion compounds featured with host framework cages and trapped guest
atoms or small molecules. Recently, the first boron–carbon (B–C) clathrate SrB3C3 was …

Heavy fermion materials have been a rich playground for strongly correlated physics for
decades. However, engineering tunable and synthesizable heavy fermion materials remains …

The search for new hard and extra-hard materials is of great interest for many industrial
applications. Therefore, in this study, we aim to investigate the mechanical properties …

Boron substitution represents a promising approach to stabilize carbon clathrate structures,
but no thermodynamically stable substitution schemes have been identified for frameworks …

MgB2-type superconductors are of great interest in chemistry and condensed matter physics
due to their superconductivity dominated by the structural unit of graphene-like B. However …

The discovery of clathrate SrB3C3 under high pressure has inspired the exploration of new
B–C clathrates. Here, we studied the structural evolution of a B–C framework over B and C …

Exploring high-performance thermoelectric materials with improved mechanical properties is
important for broadening the application scope and the assembly requirement of stable …

Investigations of clathrate structures have gained a new impetus with the recent discovery of
room-temperature superconductivity in metal hydrides. Here we report the finding, through …