Na2Cr2O7
Sodium dichromate · Bichromate of soda
Sodium dichromate is a bright orange inorganic compound that serves as a powerful oxidizing agent. It is primarily utilized in industrial processes for metal treatment and as a precursor for the production of various chromium-based chemicals.
Overview
Key Properties
Cross-validated computational properties for Sodium dichromate, 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.
2.53–2.62 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.
7
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for Na2Cr2O7, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 2.53 | 0.0000 | -7.000 | 2.83 |
| P-1 (No. 2) | triclinic | 2.62 | 0.0053 | -6.995 | 2.87 |
| P-1 (No. 2) | — | — | — | — | — |
| P-1 (No. 2) | — | — | — | — | — |
| P-1 (No. 2) | Triclinic | — | — | — | 2.60 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.78 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.65 |
Uses
Applications
Where Sodium dichromate is used.
Leather tanningPigment productionMetal surface treatmentOrganic synthesisWood preservation
Reference
Frequently Asked Questions
Common questions about Sodium dichromate, answered from cross-validated data.
What is Na2Cr2O7?
Sodium dichromate is a bright orange inorganic compound that serves as a powerful oxidizing agent. It is primarily utilized in industrial processes for metal treatment and as a precursor for the production of various chromium-based chemicals.
What is Na2Cr2O7 used for?
Sodium dichromate (Na2Cr2O7) is used in leather tanning, pigment production, metal surface treatment, organic synthesis, and wood preservation.
What is the band gap of Na2Cr2O7?
Sodium dichromate (Na2Cr2O7) has a DFT-computed band gap of 2.53–2.62 eV across 7 reported structures.
Is Na2Cr2O7 a metal, semiconductor, or insulator?
With a band gap up to 2.62 eV it is a semiconductor.
Is Na2Cr2O7 thermodynamically stable?
Yes — Sodium dichromate (Na2Cr2O7) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Na2Cr2O7?
The lowest-energy reported polymorph of Sodium dichromate (Na2Cr2O7) is triclinic symmetry, space group P-1 (No. 2).
What is the density of Na2Cr2O7?
The computed density of the ground-state structure of Sodium dichromate (Na2Cr2O7) is 2.83 g/cm³.
How many polymorphs of Na2Cr2O7 are known?
7 structures of Na2Cr2O7 are reported across 3 databases, spanning 1 distinct space group.
What elements does Na2Cr2O7 contain?
Sodium dichromate (Na2Cr2O7) contains Cr, Na, and O (3 elements).
Where does the data for Na2Cr2O7 come from?
Na2Cr2O7 data is cross-referenced from materials_project, jarvis, mpaloe.
Explore
Related Compounds
Other Layered Sodium Transition-Metal Oxides in the database.
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.
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