Dy2MgSe4
This compound is a complex chalcogenide material composed of dysprosium, magnesium, and selenium. It is primarily studied in academic research for its potential magnetic and electronic properties within the field of solid-state chemistry.
DyMgSe
Overview
Key Properties
Cross-validated computational properties for Dy2MgSe4, 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.
1.11–2.21 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.
15
3 databases, 5 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Dy2MgSe4, 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 | 1.29 | 0.0000 | -5.504 | 5.63 |
| Pnma (No. 62) | orthorhombic | 2.06 | 0.0207 | -5.483 | 5.65 |
| Pca21 (No. 29) | orthorhombic | 1.11 | 0.0234 | -5.480 | 6.28 |
| Pnma (No. 62) | orthorhombic | 1.59 | 0.0576 | -5.446 | 5.93 |
| I-42d (No. 122) | tetragonal | 1.92 | 0.0823 | -5.421 | 6.75 |
| P-1 (No. 2) | triclinic | 2.21 | 0.1869 | -5.317 | 5.00 |
| Fd-3m (No. 227) | Cubic | — | — | — | 5.51 |
| Fd-3m (No. 227) | Cubic | — | — | — | 5.77 |
| I-42d (No. 122) | — | — | — | — | — |
| I-42d (No. 122) | Tetragonal | — | — | — | 6.81 |
| Fd-3m (No. 227) | Cubic | — | — | — | 5.60 |
| Fd-3m (No. 227) | — | — | — | — | — |
Uses
Applications
Where Dy2MgSe4 is used.
Solid-state physics researchMagnetic material studiesSemiconductor material development
Reference
Frequently Asked Questions
Common questions about Dy2MgSe4, answered from cross-validated data.
What is Dy2MgSe4?
This compound is a complex chalcogenide material composed of dysprosium, magnesium, and selenium. It is primarily studied in academic research for its potential magnetic and electronic properties within the field of solid-state chemistry.
More questions
What is Dy2MgSe4 used for?
Dy2MgSe4 is used in solid-state physics research, magnetic material studies, and semiconductor material development.
What is the band gap of Dy2MgSe4?
Dy2MgSe4 has a DFT-computed band gap of 1.11–2.21 eV across 15 reported structures.
Is Dy2MgSe4 a metal, semiconductor, or insulator?
With a band gap up to 2.21 eV it is a semiconductor.
Is Dy2MgSe4 thermodynamically stable?
Yes — Dy2MgSe4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Dy2MgSe4?
The lowest-energy reported polymorph of Dy2MgSe4 is cubic symmetry, space group Fd-3m (No. 227).
What is the density of Dy2MgSe4?
The computed density of the ground-state structure of Dy2MgSe4 is 5.63 g/cm³.
How many polymorphs of Dy2MgSe4 are known?
15 structures of Dy2MgSe4 are reported across 3 databases, spanning 5 distinct space groups.
What elements does Dy2MgSe4 contain?
Dy2MgSe4 contains Dy, Mg, and Se (3 elements).
Where does the data for Dy2MgSe4 come from?
Dy2MgSe4 data is cross-referenced from materials_project, mpaloe, jarvis.
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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