Cr2MoRe
This is a complex metallic alloy composed of chromium, molybdenum, and rhenium. It is primarily studied in materials science research for its structural properties and potential behavior in extreme environments.
CrMoRe
Overview
Key Properties
Cross-validated computational properties for Cr2MoRe, aggregated across 3 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.
0.20 eV
Range across DFT structures
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.
4.201 eV/atom
Best (lowest) across sources
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.
Above hull
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
11
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Cr2MoRe, 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 | 0.20 | 4.2006 | -22.966 | 0.84 |
| P4/mmm (No. 123) | — | — | — | — | — |
| — | — | — | — | — | 11.83 |
| — | — | — | — | — | 11.79 |
| — | — | — | — | — | 11.76 |
| — | — | — | — | — | 11.83 |
| — | — | — | — | — | 11.70 |
| — | — | — | — | — | 11.70 |
| — | — | — | — | — | 11.68 |
| — | — | — | — | — | 11.79 |
| — | — | — | — | — | 11.77 |
Uses
Applications
Where Cr2MoRe is used.
Materials science researchHigh-performance alloy development
Reference
Frequently Asked Questions
Common questions about Cr2MoRe, answered from cross-validated data.
What is Cr2MoRe?
This is a complex metallic alloy composed of chromium, molybdenum, and rhenium. It is primarily studied in materials science research for its structural properties and potential behavior in extreme environments.
More questions
What is Cr2MoRe used for?
Cr2MoRe is used in materials science research and high-performance alloy development.
What is the band gap of Cr2MoRe?
Cr2MoRe has a DFT-computed band gap of 0.20 eV across 11 reported structures.
Is Cr2MoRe a metal, semiconductor, or insulator?
With a band gap up to 0.20 eV it is a semiconductor.
Is Cr2MoRe thermodynamically stable?
Cr2MoRe has a lowest energy above hull of 4.201 eV/atom (above hull).
What is the crystal structure of Cr2MoRe?
The lowest-energy reported polymorph of Cr2MoRe is orthorhombic symmetry, space group Immm (No. 71).
What is the density of Cr2MoRe?
The computed density of the ground-state structure of Cr2MoRe is 0.84 g/cm³.
How many polymorphs of Cr2MoRe are known?
11 structures of Cr2MoRe are reported across 3 databases, spanning 2 distinct space groups.
What elements does Cr2MoRe contain?
Cr2MoRe contains Cr, Mo, and Re (3 elements).
Where does the data for Cr2MoRe come from?
Cr2MoRe data is cross-referenced from materials_project, nomad, omat24.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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