Ca4Sb2O
This compound is a complex oxide containing calcium and antimony. It is primarily studied by researchers investigating the electronic and structural properties of pnictide-based materials.
CaOSb
Overview
Key Properties
Cross-validated computational properties for Ca4Sb2O, 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.
0.91 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.
5
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for Ca4Sb2O, 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. |
|---|---|---|---|---|---|
| I4/mmm (No. 139) | tetragonal | 0.91 | 0.0000 | -4.814 | 3.87 |
| I4/mmm (No. 139) | — | — | — | — | — |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 3.89 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 3.83 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 3.88 |
Uses
Applications
Where Ca4Sb2O is used.
Solid-state physics researchMaterials science experimentation
Reference
Frequently Asked Questions
Common questions about Ca4Sb2O, answered from cross-validated data.
What is Ca4Sb2O?
This compound is a complex oxide containing calcium and antimony. It is primarily studied by researchers investigating the electronic and structural properties of pnictide-based materials.
More questions
What is Ca4Sb2O used for?
Ca4Sb2O is used in solid-state physics research and materials science experimentation.
What is the band gap of Ca4Sb2O?
Ca4Sb2O has a DFT-computed band gap of 0.91 eV across 5 reported structures.
Is Ca4Sb2O a metal, semiconductor, or insulator?
With a band gap up to 0.91 eV it is a semiconductor.
Is Ca4Sb2O thermodynamically stable?
Yes — Ca4Sb2O sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Ca4Sb2O?
The lowest-energy reported polymorph of Ca4Sb2O is tetragonal symmetry, space group I4/mmm (No. 139).
What is the density of Ca4Sb2O?
The computed density of the ground-state structure of Ca4Sb2O is 3.87 g/cm³.
How many polymorphs of Ca4Sb2O are known?
5 structures of Ca4Sb2O are reported across 3 databases, spanning 1 distinct space group.
What elements does Ca4Sb2O contain?
Ca4Sb2O contains Ca, O, and Sb (3 elements).
Where does the data for Ca4Sb2O come from?
Ca4Sb2O data is cross-referenced from materials_project, jarvis, mpaloe.
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.
Analyze Ca4Sb2O in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →