Be1Cr1Mn2
Be1Cr1Mn2 is a metastable, semiconducting ternary compound consisting of beryllium, chromium, and manganese.
About Be1Cr1Mn2
Be1Cr1Mn2 is a complex ternary compound composed of beryllium, chromium, and manganese. It exhibits semiconducting electronic behavior, which distinguishes it from purely metallic alloys often found in similar elemental combinations. The material is characterized by a significant number of reported structural variations despite its thermodynamic status.
Because it resides above the stability hull, this compound is considered metastable. Its existence in structural databases highlights the complexity of phase formation in beryllium-transition metal systems, where kinetic factors may allow for the realization of phases that are not globally stable.
Key Properties
Cross-validated computational properties for Be1Cr1Mn2, 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 Be1Cr1Mn2, 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 | 0.16 | 3.0565 | -4.966 | 0.42 |
| P4/mmm (No. 123) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| Cmm2 (No. 35) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Be1Cr1Mn2, answered from cross-validated data.
What is Be1Cr1Mn2?
Be1Cr1Mn2 is a metastable, semiconducting ternary compound consisting of beryllium, chromium, and manganese.
What is the band gap of Be1Cr1Mn2?
Is Be1Cr1Mn2 a metal, semiconductor, or insulator?
Is Be1Cr1Mn2 thermodynamically stable?
What is the crystal structure of Be1Cr1Mn2?
What is the density of Be1Cr1Mn2?
How many polymorphs of Be1Cr1Mn2 are known?
What elements does Be1Cr1Mn2 contain?
Where does the data for Be1Cr1Mn2 come from?
How It Compares
As an unclassified ternary phase, Be1Cr1Mn2 represents a unique structural arrangement within the broader landscape of beryllium-based intermetallics. Without direct siblings in this specific compositional class, it serves as a distinct example of how transition metals like chromium and manganese can be integrated into a beryllium framework to produce non-metallic electronic properties.
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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