Bi1Cd1In2

Bi1Cd1In2 is a semimetallic ternary compound of bismuth, cadmium, and indium that exists as a metastable phase.

BiCdIn
Crystal structure of Bi1Cd1In2 (orthorhombic, Immm (No. 71))
Ground-state structure · Materials Project
Overview

About Bi1Cd1In2

Bi1Cd1In2 is a complex ternary intermetallic compound composed of bismuth, cadmium, and indium. Its electronic structure is characterized as a near-zero-gap semimetal, placing it in a unique regime where conduction and valence bands overlap minimally, influencing its potential charge transport properties.

Despite its structural complexity, which is reflected in a high number of reported configurations across crystallographic databases, this compound resides above the thermodynamic hull. This indicates that it is a metastable phase, requiring specific synthesis conditions to stabilize its atomic arrangement for investigation.

At a glance

Key Properties

Cross-validated computational properties for Bi1Cd1In2, aggregated across 2 databases.

Band Gap

0.02 eV
Range across DFT structures

Energy Above Hull

0.843 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

26
2 databases, 17 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Bi1Cd1In2, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Immm (No. 71)orthorhombic0.020.8426-30.1340.75
Pm (No. 6)
Fm-3m (No. 225)
Pmmm (No. 47)
F-43m (No. 216)
P4/mmm (No. 123)
P2/m (No. 10)
Immm (No. 71)
Cmmm (No. 65)
C2/m (No. 12)
P4/mmm (No. 123)
R-3m (No. 166)
Reference

Frequently Asked Questions

Common questions about Bi1Cd1In2, answered from cross-validated data.

What is Bi1Cd1In2?

Bi1Cd1In2 is a semimetallic ternary compound of bismuth, cadmium, and indium that exists as a metastable phase.

More questions
What is the band gap of Bi1Cd1In2?
Bi1Cd1In2 has a DFT-computed band gap of 0.02 eV across 26 reported structures.
Is Bi1Cd1In2 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Bi1Cd1In2 thermodynamically stable?
Bi1Cd1In2 has a lowest energy above hull of 0.843 eV/atom (above hull).
What is the crystal structure of Bi1Cd1In2?
The lowest-energy reported polymorph of Bi1Cd1In2 is orthorhombic symmetry, space group Immm (No. 71).
What is the density of Bi1Cd1In2?
The computed density of the ground-state structure of Bi1Cd1In2 is 0.75 g/cm³.
How many polymorphs of Bi1Cd1In2 are known?
26 structures of Bi1Cd1In2 are reported across 2 databases, spanning 17 distinct space groups.
What elements does Bi1Cd1In2 contain?
Bi1Cd1In2 contains Bi, Cd, and In (3 elements).
Where does the data for Bi1Cd1In2 come from?
Bi1Cd1In2 data is cross-referenced from materials_project, aflow.
Comparison

How It Compares

As a metastable ternary phase, Bi1Cd1In2 represents a specialized case within the broader landscape of bismuth-based intermetallic alloys, where structural diversity often challenges traditional thermodynamic stability.

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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