TiFe2O5
pseudobrookite · iron titanium oxide
Pseudobrookite is a naturally occurring mineral that belongs to the group of iron titanium oxides. It is primarily studied for its structural properties and its presence in various geological formations, often serving as a subject of interest in mineralogy and materials research.
Key Properties
Cross-validated computational properties for pseudobrookite, 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 TiFe2O5, 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. |
|---|---|---|---|---|---|
| Cmc21 (No. 36) | orthorhombic | 1.34 | 0.0267 | -8.553 | 4.18 |
| Cmcm (No. 63) | orthorhombic | 1.84 | 0.0428 | -8.537 | 4.20 |
| P1 (No. 1) | triclinic | 1.97 | 0.0460 | -8.533 | 4.20 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0569 | -8.522 | 4.18 |
| C2/c (No. 15) | monoclinic | 0.00 | 0.0730 | -8.506 | 4.57 |
| C2/c (No. 15) | Monoclinic | — | — | — | 4.71 |
| Cmcm (No. 63) | — | — | — | — | — |
| C2/c (No. 15) | Monoclinic | — | — | — | 4.57 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 4.49 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 4.33 |
| C2/c (No. 15) | Monoclinic | — | — | — | 4.88 |
| Cmcm (No. 63) | — | — | — | — | — |
Applications
Where pseudobrookite is used.
Frequently Asked Questions
Common questions about pseudobrookite, answered from cross-validated data.
What is TiFe2O5?
Pseudobrookite is a naturally occurring mineral that belongs to the group of iron titanium oxides. It is primarily studied for its structural properties and its presence in various geological formations, often serving as a subject of interest in mineralogy and materials research.
What is TiFe2O5 used for?
What is the band gap of TiFe2O5?
Is TiFe2O5 a metal, semiconductor, or insulator?
Is TiFe2O5 thermodynamically stable?
What is the crystal structure of TiFe2O5?
What is the density of TiFe2O5?
How many polymorphs of TiFe2O5 are known?
What elements does TiFe2O5 contain?
Where does the data for TiFe2O5 come from?
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).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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