Cr1Mn1Nb2
Cr1Mn1Nb2 is a metastable, semiconducting ternary compound composed of chromium, manganese, and niobium.
About Cr1Mn1Nb2
Cr1Mn1Nb2 is a complex ternary phase composed of chromium, manganese, and niobium. As a semiconducting material, it represents an interesting case study in transition metal chemistry where the electronic properties are dictated by the interplay of these specific metallic components.
Despite being identified in numerous structural configurations across databases, this compound is characterized as being above the thermodynamic hull. This suggests that while it can be synthesized or modeled in various arrangements, it remains a metastable phase that requires specific conditions for formation.
Key Properties
Cross-validated computational properties for Cr1Mn1Nb2, aggregated across 2 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for Cr1Mn1Nb2, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 0.17 | 3.8566 | -15.980 | 0.63 |
| Cmm2 (No. 35) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Applications
Where Cr1Mn1Nb2 is used.
Frequently Asked Questions
Common questions about Cr1Mn1Nb2, answered from cross-validated data.
What is Cr1Mn1Nb2?
Cr1Mn1Nb2 is a metastable, semiconducting ternary compound composed of chromium, manganese, and niobium.
What is Cr1Mn1Nb2 used for?
What is the band gap of Cr1Mn1Nb2?
Is Cr1Mn1Nb2 a metal, semiconductor, or insulator?
Is Cr1Mn1Nb2 thermodynamically stable?
What is the crystal structure of Cr1Mn1Nb2?
What is the density of Cr1Mn1Nb2?
How many polymorphs of Cr1Mn1Nb2 are known?
What elements does Cr1Mn1Nb2 contain?
Where does the data for Cr1Mn1Nb2 come from?
How It Compares
As a unique ternary combination of chromium, manganese, and niobium, this compound occupies a niche space in materials science where its semiconducting nature distinguishes it from many purely metallic alloys found in similar transition metal systems.
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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