Mn4O12Tb4
This compound is a complex oxide containing manganese and terbium. It is primarily studied in the field of solid-state chemistry for its magnetic and structural properties in advanced materials research.
Overview
Key Properties
Cross-validated computational properties for Mn4O12Tb4, 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.
0.40–0.93 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.
0.000 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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
4
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for Mn4O12Tb4, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 0.40 | 0.0000 | -8.759 | 7.74 |
| Pnma (No. 62) | orthorhombic | 0.93 | 0.3142 | -8.445 | 6.42 |
| Pnma (No. 62) | — | — | — | — | — |
| — | — | — | — | — | 6.57 |
Uses
Applications
Where Mn4O12Tb4 is used.
Materials science researchMagnetic property studiesSolid-state synthesis development
Reference
Frequently Asked Questions
Common questions about Mn4O12Tb4, answered from cross-validated data.
What is Mn4O12Tb4?
This compound is a complex oxide containing manganese and terbium. It is primarily studied in the field of solid-state chemistry for its magnetic and structural properties in advanced materials research.
More questions
What is Mn4O12Tb4 used for?
Mn4O12Tb4 is used in materials science research, magnetic property studies, and solid-state synthesis development.
What is the band gap of Mn4O12Tb4?
Mn4O12Tb4 has a DFT-computed band gap of 0.40–0.93 eV across 4 reported structures.
Is Mn4O12Tb4 a metal, semiconductor, or insulator?
With a band gap up to 0.93 eV it is a semiconductor.
Is Mn4O12Tb4 thermodynamically stable?
Yes — Mn4O12Tb4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Mn4O12Tb4?
The lowest-energy reported polymorph of Mn4O12Tb4 is orthorhombic symmetry, space group Pnma (No. 62).
What is the density of Mn4O12Tb4?
The computed density of the ground-state structure of Mn4O12Tb4 is 7.74 g/cm³.
How many polymorphs of Mn4O12Tb4 are known?
4 structures of Mn4O12Tb4 are reported across 3 databases, spanning 1 distinct space group.
What elements does Mn4O12Tb4 contain?
Mn4O12Tb4 contains Mn, O, and Tb (3 elements).
Where does the data for Mn4O12Tb4 come from?
Mn4O12Tb4 data is cross-referenced from materials_project, aflow, omat24.
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Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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