In1Os2Ta1

In1Os2Ta1 is a semimetallic ternary compound comprised of indium, osmium, and tantalum.

InOsTa
Crystal structure of In1Os2Ta1 (orthorhombic, Immm (No. 71))
Ground-state structure · Materials Project
Overview

About In1Os2Ta1

In1Os2Ta1 is a complex ternary compound composed of indium, osmium, and tantalum. Its electronic character is defined as a near-zero-gap semimetallic material, placing it in a unique regime between traditional insulators and conductors.

Despite its structural complexity, the compound is identified as being thermodynamically unstable relative to the ground state. It remains a subject of interest for researchers investigating the diverse phase space of ternary intermetallic systems.

At a glance

Key Properties

Cross-validated computational properties for In1Os2Ta1, aggregated across 2 databases.

Band Gap

0.09 eV
Range across DFT structures

Energy Above Hull

3.822 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

27
2 databases, 18 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for In1Os2Ta1, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Immm (No. 71)orthorhombic0.093.8217-40.6231.32
Pm (No. 6)
I-4m2 (No. 119)
Pmmm (No. 47)
P4/mmm (No. 123)
Cmm2 (No. 35)
Pmmm (No. 47)
Cm (No. 8)
R-3m (No. 166)
Cmmm (No. 65)
Fm-3m (No. 225)
F-43m (No. 216)
Reference

Frequently Asked Questions

Common questions about In1Os2Ta1, answered from cross-validated data.

What is In1Os2Ta1?

In1Os2Ta1 is a semimetallic ternary compound comprised of indium, osmium, and tantalum.

More questions
What is the band gap of In1Os2Ta1?
In1Os2Ta1 has a DFT-computed band gap of 0.09 eV across 27 reported structures.
Is In1Os2Ta1 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is In1Os2Ta1 thermodynamically stable?
In1Os2Ta1 has a lowest energy above hull of 3.822 eV/atom (above hull).
What is the crystal structure of In1Os2Ta1?
The lowest-energy reported polymorph of In1Os2Ta1 is orthorhombic symmetry, space group Immm (No. 71).
What is the density of In1Os2Ta1?
The computed density of the ground-state structure of In1Os2Ta1 is 1.32 g/cm³.
How many polymorphs of In1Os2Ta1 are known?
27 structures of In1Os2Ta1 are reported across 2 databases, spanning 18 distinct space groups.
What elements does In1Os2Ta1 contain?
In1Os2Ta1 contains In, Os, and Ta (3 elements).
Where does the data for In1Os2Ta1 come from?
In1Os2Ta1 data is cross-referenced from materials_project, aflow.
Comparison

How It Compares

As a unique ternary phase, In1Os2Ta1 represents a specific point in the compositional landscape of indium-osmium-tantalum systems. Because it sits above the thermodynamic hull, it serves as a critical data point for understanding the formation and stability limits of complex intermetallic structures.

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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