MgMnSiO5
This compound is a complex silicate mineral containing magnesium and manganese. It is primarily studied within the context of geological mineralogy and crystal chemistry.
MgMnOSi
Overview
Key Properties
Cross-validated computational properties for MgMnSiO5, 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.
0.79–1.02 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.
0.090 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.
Metastable
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
10
3 databases, 4 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for MgMnSiO5, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 1.02 | 0.0898 | -7.738 | 3.72 |
| C2/c (No. 15) | monoclinic | 0.79 | 0.0902 | -7.737 | 3.71 |
| Cc (No. 9) | monoclinic | 0.94 | 0.0902 | -7.737 | 3.71 |
| Cc (No. 9) | Monoclinic | — | — | — | 3.71 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.02 |
| P1 (No. 1) | Triclinic | — | — | — | 3.85 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.72 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.02 |
| P-1 (No. 2) | — | — | — | — | — |
| P-1 (No. 2) | Triclinic | — | — | — | 3.86 |
Uses
Applications
Where MgMnSiO5 is used.
Geological researchMineralogical studiesMaterials science research
Reference
Frequently Asked Questions
Common questions about MgMnSiO5, answered from cross-validated data.
What is MgMnSiO5?
This compound is a complex silicate mineral containing magnesium and manganese. It is primarily studied within the context of geological mineralogy and crystal chemistry.
More questions
What is MgMnSiO5 used for?
MgMnSiO5 is used in geological research, mineralogical studies, and materials science research.
What is the band gap of MgMnSiO5?
MgMnSiO5 has a DFT-computed band gap of 0.79–1.02 eV across 10 reported structures.
Is MgMnSiO5 a metal, semiconductor, or insulator?
With a band gap up to 1.02 eV it is a semiconductor.
Is MgMnSiO5 thermodynamically stable?
MgMnSiO5 has a lowest energy above hull of 0.090 eV/atom (metastable).
What is the crystal structure of MgMnSiO5?
The lowest-energy reported polymorph of MgMnSiO5 is triclinic symmetry, space group P-1 (No. 2).
What is the density of MgMnSiO5?
The computed density of the ground-state structure of MgMnSiO5 is 3.72 g/cm³.
How many polymorphs of MgMnSiO5 are known?
10 structures of MgMnSiO5 are reported across 3 databases, spanning 4 distinct space groups.
What elements does MgMnSiO5 contain?
MgMnSiO5 contains Mg, Mn, O, and Si (4 elements).
Where does the data for MgMnSiO5 come from?
MgMnSiO5 data is cross-referenced from materials_project, mpaloe, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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