HgInSc2
This is a quaternary chalcogenide semiconductor material composed of mercury, indium, and scandium. It is primarily studied in academic research for its potential electronic and optical properties in advanced materials science.
HgInSc
Overview
Key Properties
Cross-validated computational properties for HgInSc2, 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.
0.01 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.
0.025 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.
Near hull (likely stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
5
3 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for HgInSc2, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.00 | 0.0246 | -24.178 | 7.63 |
| Immm (No. 71) | orthorhombic | 0.01 | 2.2783 | -21.924 | 0.54 |
| — | — | — | — | — | 7.37 |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Uses
Applications
Where HgInSc2 is used.
Semiconductor researchMaterials science experimentationSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about HgInSc2, answered from cross-validated data.
What is HgInSc2?
This is a quaternary chalcogenide semiconductor material composed of mercury, indium, and scandium. It is primarily studied in academic research for its potential electronic and optical properties in advanced materials science.
More questions
What is HgInSc2 used for?
HgInSc2 is used in semiconductor research, materials science experimentation, and solid-state chemistry studies.
What is the band gap of HgInSc2?
HgInSc2 has a DFT-computed band gap of 0.01 eV across 5 reported structures.
Is HgInSc2 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is HgInSc2 thermodynamically stable?
HgInSc2 has a lowest energy above hull of 0.025 eV/atom (near hull (likely stable)).
What is the crystal structure of HgInSc2?
The lowest-energy reported polymorph of HgInSc2 is cubic symmetry, space group Fm-3m (No. 225).
What is the density of HgInSc2?
The computed density of the ground-state structure of HgInSc2 is 7.63 g/cm³.
How many polymorphs of HgInSc2 are known?
5 structures of HgInSc2 are reported across 3 databases, spanning 3 distinct space groups.
What elements does HgInSc2 contain?
HgInSc2 contains Hg, In, and Sc (3 elements).
Where does the data for HgInSc2 come from?
HgInSc2 data is cross-referenced from materials_project, omat24, nomad.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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