Ho2MgSe4
Ho2MgSe4 is a semiconducting quaternary selenide compound that is theoretically stable enough to be a target for laboratory synthesis.
About Ho2MgSe4
Ho2MgSe4 is a complex quaternary selenide that exhibits semiconducting electronic behavior. Its structural configuration suggests a degree of chemical complexity typical of rare-earth magnesium chalcogenides, which are often investigated for their unique optoelectronic properties.
As a material positioned near the thermodynamic hull, it is considered a viable candidate for experimental synthesis. The existence of multiple reported structural variations across databases underscores its potential for structural diversity and tuning in solid-state chemistry.
Key Properties
Cross-validated computational properties for Ho2MgSe4, aggregated across 4 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Ho2MgSe4. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for Ho2MgSe4, 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. |
|---|---|---|---|---|---|
| Fd-3m (No. 227) | cubic | 1.32 | 0.0000 | -1.788 | — |
| — | — | 1.51 | 0.0087 | -1.703 | — |
| Fd-3m (No. 227) | cubic | 1.31 | 0.0087 | -5.497 | 5.74 |
| Pnma (No. 62) | orthorhombic | 2.07 | 0.0300 | -5.475 | 5.62 |
| Pca21 (No. 29) | orthorhombic | 1.12 | 0.0383 | -5.467 | 6.39 |
| Pnma (No. 62) | orthorhombic | 1.59 | 0.0693 | -5.436 | 6.04 |
| I-42d (No. 122) | tetragonal | 1.77 | 0.0799 | -1.708 | — |
| I-42d (No. 122) | tetragonal | 1.96 | 0.1008 | -5.405 | 6.82 |
| P-1 (No. 2) | triclinic | 2.23 | 0.1965 | -5.309 | 5.09 |
| Pnma (No. 62) | orthorhombic | 1.14 | 0.2466 | -5.259 | 5.89 |
| I-42d (No. 122) | tetragonal | — | — | — | 7.00 |
| I-42d (No. 122) | tetragonal | — | — | — | 6.82 |
Applications
Where Ho2MgSe4 is used.
Frequently Asked Questions
Common questions about Ho2MgSe4, answered from cross-validated data.
What is Ho2MgSe4?
Ho2MgSe4 is a semiconducting quaternary selenide compound that is theoretically stable enough to be a target for laboratory synthesis.
What is Ho2MgSe4 used for?
What is the band gap of Ho2MgSe4?
Is Ho2MgSe4 a metal, semiconductor, or insulator?
Is Ho2MgSe4 thermodynamically stable?
What is the crystal structure of Ho2MgSe4?
How many polymorphs of Ho2MgSe4 are known?
What elements does Ho2MgSe4 contain?
Where does the data for Ho2MgSe4 come from?
How It Compares
As a quaternary selenide, Ho2MgSe4 represents a specialized class of chalcogenide materials where the interplay between holmium, magnesium, and selenium creates a distinct electronic environment. Without direct structural siblings in this specific quaternary space, it occupies a unique niche as a candidate for exploring how rare-earth substitution influences the semiconducting properties of magnesium-based chalcogenide frameworks.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
Analyze Ho2MgSe4 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →