Ho2TiO5
Ho2TiO5 is a stable, insulating holmium titanium oxide characterized by its robust thermodynamic profile and structural versatility.
About Ho2TiO5
Ho2TiO5 is a complex oxide composed of holmium, titanium, and oxygen. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement that maintains structural integrity under standard conditions.
This material functions as a wide-band-gap insulator, a characteristic that makes it an interesting subject for studies involving dielectric properties and electronic insulation. Its structural diversity is highlighted by numerous reported configurations across multiple databases, reflecting its significance in solid-state chemistry.
Key Properties
Cross-validated computational properties for Ho2TiO5, 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 Ho2TiO5, 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 | 3.28 | 0.0000 | -9.119 | 7.20 |
| Pnma (No. 62) | orthorhombic | 3.21 | 0.0443 | -9.075 | 7.28 |
| Cmcm (No. 63) | orthorhombic | 3.04 | 0.0818 | -9.038 | 6.46 |
| C2/c (No. 15) | monoclinic | 2.93 | 0.0951 | -9.024 | 7.13 |
| Cm (No. 8) | monoclinic | 2.28 | 0.1211 | -8.998 | 7.29 |
| Cmcm (No. 63) | — | — | — | — | — |
| C2/c (No. 15) | — | — | — | — | — |
| C2/c (No. 15) | Monoclinic | — | — | — | 7.47 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 6.46 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 6.76 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 7.28 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 7.43 |
Applications
Where Ho2TiO5 is used.
Frequently Asked Questions
Common questions about Ho2TiO5, answered from cross-validated data.
What is Ho2TiO5?
Ho2TiO5 is a stable, insulating holmium titanium oxide characterized by its robust thermodynamic profile and structural versatility.
What is Ho2TiO5 used for?
What is the band gap of Ho2TiO5?
Is Ho2TiO5 a metal, semiconductor, or insulator?
Is Ho2TiO5 thermodynamically stable?
What is the crystal structure of Ho2TiO5?
What is the density of Ho2TiO5?
How many polymorphs of Ho2TiO5 are known?
What elements does Ho2TiO5 contain?
Where does the data for Ho2TiO5 come from?
How It Compares
As a distinct member of the rare-earth titanate family, Ho2TiO5 occupies a stable position within the chemical landscape. It serves as a representative example of how lanthanide elements can be integrated with titanium to form reliable, insulating oxide frameworks.
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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