MgMnPO5
This compound is a complex phosphate material containing magnesium and manganese. It is primarily studied for its structural properties and potential utility in electrochemical energy storage systems.
Overview
Key Properties
Cross-validated computational properties for MgMnPO5, 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.
0.02–0.89 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.
0.053 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.
6
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for MgMnPO5, 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. |
|---|---|---|---|---|---|
| Cc (No. 9) | monoclinic | 0.02 | 0.0527 | -7.755 | 3.64 |
| P1 (No. 1) | triclinic | 0.89 | 0.0530 | -7.755 | 3.47 |
| Cc (No. 9) | — | — | — | — | — |
| Cc (No. 9) | Monoclinic | — | — | — | 3.47 |
| Cc (No. 9) | Monoclinic | — | — | — | 3.75 |
| Cc (No. 9) | Monoclinic | — | — | — | 3.57 |
Uses
Applications
Where MgMnPO5 is used.
Battery electrode researchMaterials science studiesSolid-state chemistry research
Reference
Frequently Asked Questions
Common questions about MgMnPO5, answered from cross-validated data.
What is MgMnPO5?
This compound is a complex phosphate material containing magnesium and manganese. It is primarily studied for its structural properties and potential utility in electrochemical energy storage systems.
More questions
What is MgMnPO5 used for?
MgMnPO5 is used in battery electrode research, materials science studies, and solid-state chemistry research.
What is the band gap of MgMnPO5?
MgMnPO5 has a DFT-computed band gap of 0.02–0.89 eV across 6 reported structures.
Is MgMnPO5 a metal, semiconductor, or insulator?
With a band gap up to 0.89 eV it is a semiconductor.
Is MgMnPO5 thermodynamically stable?
MgMnPO5 has a lowest energy above hull of 0.053 eV/atom (metastable).
What is the crystal structure of MgMnPO5?
The lowest-energy reported polymorph of MgMnPO5 is monoclinic symmetry, space group Cc (No. 9).
What is the density of MgMnPO5?
The computed density of the ground-state structure of MgMnPO5 is 3.64 g/cm³.
How many polymorphs of MgMnPO5 are known?
6 structures of MgMnPO5 are reported across 3 databases, spanning 2 distinct space groups.
What elements does MgMnPO5 contain?
MgMnPO5 contains Mg, Mn, O, and P (4 elements).
Where does the data for MgMnPO5 come from?
MgMnPO5 data is cross-referenced from materials_project, jarvis, mpaloe.
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Related Compounds
Other Transition-Metal Phosphates in the database.
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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