MgCrSiO5
MgCrSiO5 is a metastable, semiconducting magnesium-chromium silicate used primarily in fundamental materials research.
About MgCrSiO5
MgCrSiO5 is a complex quaternary oxide containing magnesium, chromium, silicon, and oxygen. As a semiconducting material, it represents a unique intersection of transition metal chemistry and silicate frameworks, drawing interest for its potential electronic properties in specialized solid-state configurations. The compound is characterized as being above the thermodynamic hull, suggesting it exists as a metastable phase. Its presence across multiple structural databases highlights its role as a subject of ongoing investigation in computational materials science, where researchers examine its stability and potential for synthesis.
Key Properties
Cross-validated computational properties for MgCrSiO5, 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.
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 MgCrSiO5, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 0.59 | 0.1046 | -7.881 | 3.58 |
| P-1 (No. 2) | — | — | — | — | — |
| C2/c (No. 15) | Monoclinic | — | — | — | 3.69 |
| C2/c (No. 15) | Monoclinic | — | — | — | 3.58 |
| C2/c (No. 15) | Monoclinic | — | — | — | 3.83 |
Applications
Where MgCrSiO5 is used.
Frequently Asked Questions
Common questions about MgCrSiO5, answered from cross-validated data.
What is MgCrSiO5?
MgCrSiO5 is a metastable, semiconducting magnesium-chromium silicate used primarily in fundamental materials research.
What is MgCrSiO5 used for?
What is the band gap of MgCrSiO5?
Is MgCrSiO5 a metal, semiconductor, or insulator?
Is MgCrSiO5 thermodynamically stable?
What is the crystal structure of MgCrSiO5?
What is the density of MgCrSiO5?
How many polymorphs of MgCrSiO5 are known?
What elements does MgCrSiO5 contain?
Where does the data for MgCrSiO5 come from?
How It Compares
As a unique quaternary silicate, MgCrSiO5 occupies a distinct niche in materials research. Without direct structural siblings in its immediate class, it serves as a critical case study for understanding how chromium substitution influences the stability and electronic behavior of magnesium-silicate systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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