Be1Ge1La2

Be1Ge1La2 is a semimetallic ternary intermetallic compound containing beryllium, germanium, and lanthanum.

BeGeLa
Crystal structure of Be1Ge1La2 (orthorhombic, Immm (No. 71))
Ground-state structure · Materials Project
Overview

About Be1Ge1La2

Be1Ge1La2 is a complex ternary compound composed of beryllium, germanium, and lanthanum. Its electronic structure exhibits near-zero-gap characteristics, placing it in the category of semimetallic materials that often bridge the gap between metallic conductors and semiconductors.

Due to its position above the thermodynamic hull, this compound is considered metastable or unstable under standard conditions. Despite this, it remains a subject of interest in structural chemistry, with numerous reported configurations contributing to the broader understanding of ternary phase space.

At a glance

Key Properties

Cross-validated computational properties for Be1Ge1La2, aggregated across 2 databases.

Band Gap

0.02 eV
Range across DFT structures

Energy Above Hull

2.576 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

26
2 databases, 13 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Be1Ge1La2, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Immm (No. 71)orthorhombic0.022.5761-2.4830.54
Pmmm (No. 47)
P4/mmm (No. 123)
Cmmm (No. 65)
P4mm (No. 99)
Imm2 (No. 44)
P4/mmm (No. 123)
I-4m2 (No. 119)
F-43m (No. 216)
Amm2 (No. 38)
Fm-3m (No. 225)
P2/m (No. 10)
Reference

Frequently Asked Questions

Common questions about Be1Ge1La2, answered from cross-validated data.

What is Be1Ge1La2?

Be1Ge1La2 is a semimetallic ternary intermetallic compound containing beryllium, germanium, and lanthanum.

More questions
What is the band gap of Be1Ge1La2?
Be1Ge1La2 has a DFT-computed band gap of 0.02 eV across 26 reported structures.
Is Be1Ge1La2 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Be1Ge1La2 thermodynamically stable?
Be1Ge1La2 has a lowest energy above hull of 2.576 eV/atom (above hull).
What is the crystal structure of Be1Ge1La2?
The lowest-energy reported polymorph of Be1Ge1La2 is orthorhombic symmetry, space group Immm (No. 71).
What is the density of Be1Ge1La2?
The computed density of the ground-state structure of Be1Ge1La2 is 0.54 g/cm³.
How many polymorphs of Be1Ge1La2 are known?
26 structures of Be1Ge1La2 are reported across 2 databases, spanning 13 distinct space groups.
What elements does Be1Ge1La2 contain?
Be1Ge1La2 contains Be, Ge, and La (3 elements).
Where does the data for Be1Ge1La2 come from?
Be1Ge1La2 data is cross-referenced from materials_project, aflow.
Comparison

How It Compares

As a unique ternary intermetallic, Be1Ge1La2 represents a specialized case within the landscape of lanthanum-based alloys. Unlike more common, highly stable intermetallics, its metastability suggests a complex formation pathway that requires precise synthesis conditions to access, distinguishing it from more robust, ground-state phases.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).

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