In4S12Sb4
This compound is a complex sulfide material containing indium, antimony, and sulfur. It is primarily studied in academic research for its potential semiconducting properties and structural characteristics in solid-state chemistry.
InSSb
Overview
Key Properties
Cross-validated computational properties for In4S12Sb4, 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.
1.48 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.
4
4 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for In4S12Sb4, 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 | 1.48 | 0.0000 | -15.000 | 4.51 |
| — | — | — | — | — | 3.65 |
| No. 0 | unknown | — | — | — | 0.18 |
| Pnma (No. 62) | — | — | — | — | — |
Uses
Applications
Where In4S12Sb4 is used.
Materials science researchSolid-state physics studiesSemiconductor development
Reference
Frequently Asked Questions
Common questions about In4S12Sb4, answered from cross-validated data.
What is In4S12Sb4?
This compound is a complex sulfide material containing indium, antimony, and sulfur. It is primarily studied in academic research for its potential semiconducting properties and structural characteristics in solid-state chemistry.
More questions
What is In4S12Sb4 used for?
In4S12Sb4 is used in materials science research, solid-state physics studies, and semiconductor development.
What is the band gap of In4S12Sb4?
In4S12Sb4 has a DFT-computed band gap of 1.48 eV across 4 reported structures.
Is In4S12Sb4 a metal, semiconductor, or insulator?
With a band gap up to 1.48 eV it is a semiconductor.
Is In4S12Sb4 thermodynamically stable?
Yes — In4S12Sb4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of In4S12Sb4?
The lowest-energy reported polymorph of In4S12Sb4 is orthorhombic symmetry, space group Pnma (No. 62).
What is the density of In4S12Sb4?
The computed density of the ground-state structure of In4S12Sb4 is 4.51 g/cm³.
How many polymorphs of In4S12Sb4 are known?
4 structures of In4S12Sb4 are reported across 4 databases, spanning 2 distinct space groups.
What elements does In4S12Sb4 contain?
In4S12Sb4 contains In, S, and Sb (3 elements).
Where does the data for In4S12Sb4 come from?
In4S12Sb4 data is cross-referenced from materials_project, omat24, cod, aflow.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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