Cr1Ge1Tc2

Cr1Ge1Tc2 is a semiconducting ternary compound consisting of chromium, germanium, and technetium that displays complex structural diversity.

CrGeTc
Crystal structure of Cr1Ge1Tc2 (orthorhombic, Immm (No. 71))
Ground-state structure · Materials Project
Overview

About Cr1Ge1Tc2

Cr1Ge1Tc2 is a complex ternary compound composed of chromium, germanium, and technetium. As a semiconducting material, it exhibits electronic properties that distinguish it from simple metallic alloys, making it a subject of interest for fundamental solid-state research.

Despite its existence in multiple structural configurations, the compound is characterized as being above the thermodynamic hull. This suggests that the material is metastable and requires specific synthesis conditions to be realized, reflecting the intricate bonding nature of its constituent elements.

At a glance

Key Properties

Cross-validated computational properties for Cr1Ge1Tc2, aggregated across 2 databases.

Band Gap

0.20 eV
Range across DFT structures

Energy Above Hull

3.248 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

26
2 databases, 16 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Cr1Ge1Tc2, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Immm (No. 71)orthorhombic0.203.2480-17.0540.74
Pmmm (No. 47)
P4/mmm (No. 123)
P4mm (No. 99)
Cmmm (No. 65)
P4/mmm (No. 123)
Pmm2 (No. 25)
C2/m (No. 12)
Pm (No. 6)
Pmmm (No. 47)
Cm (No. 8)
Fm-3m (No. 225)
Reference

Frequently Asked Questions

Common questions about Cr1Ge1Tc2, answered from cross-validated data.

What is Cr1Ge1Tc2?

Cr1Ge1Tc2 is a semiconducting ternary compound consisting of chromium, germanium, and technetium that displays complex structural diversity.

More questions
What is the band gap of Cr1Ge1Tc2?
Cr1Ge1Tc2 has a DFT-computed band gap of 0.20 eV across 26 reported structures.
Is Cr1Ge1Tc2 a metal, semiconductor, or insulator?
With a band gap up to 0.20 eV it is a semiconductor.
Is Cr1Ge1Tc2 thermodynamically stable?
Cr1Ge1Tc2 has a lowest energy above hull of 3.248 eV/atom (above hull).
What is the crystal structure of Cr1Ge1Tc2?
The lowest-energy reported polymorph of Cr1Ge1Tc2 is orthorhombic symmetry, space group Immm (No. 71).
What is the density of Cr1Ge1Tc2?
The computed density of the ground-state structure of Cr1Ge1Tc2 is 0.74 g/cm³.
How many polymorphs of Cr1Ge1Tc2 are known?
26 structures of Cr1Ge1Tc2 are reported across 2 databases, spanning 16 distinct space groups.
What elements does Cr1Ge1Tc2 contain?
Cr1Ge1Tc2 contains Cr, Ge, and Tc (3 elements).
Where does the data for Cr1Ge1Tc2 come from?
Cr1Ge1Tc2 data is cross-referenced from materials_project, aflow.
Comparison

How It Compares

As a unique ternary phase, Cr1Ge1Tc2 represents a specialized case within the broader landscape of chromium-germanium-technetium systems. While it lacks direct siblings in this specific class, its semiconducting nature and structural complexity highlight the diverse potential for electronic tuning in transition metal-based intermetallics.

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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