Cr2NiO4
nickel chromite · nickel(II) chromite
Nickel chromite is a spinel-structured inorganic compound composed of nickel, chromium, and oxygen. It is primarily utilized in industrial settings as a catalyst and as a pigment for ceramics due to its stability at elevated temperatures.
Key Properties
Cross-validated computational properties for nickel chromite, 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.
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.
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.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for Cr2NiO4, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 0.70 | 0.0000 | -8.454 | 5.19 |
| I41md (No. 109) | tetragonal | 0.83 | 0.0016 | -8.452 | 5.20 |
| Ima2 (No. 46) | orthorhombic | 2.79 | 0.0019 | -8.452 | 5.19 |
| Cc (No. 9) | monoclinic | 2.62 | 0.0019 | -8.452 | 5.19 |
| I41/amd (No. 141) | tetragonal | 0.00 | 0.0089 | -8.445 | 5.02 |
| C2 (No. 5) | monoclinic | 2.32 | 0.0097 | -8.444 | 4.94 |
| Fd-3m (No. 227) | cubic | 0.00 | 0.0121 | -8.442 | 4.94 |
| Imma (No. 74) | orthorhombic | 2.18 | 0.0948 | -8.359 | 4.96 |
| Cc (No. 9) | Monoclinic | — | — | — | 4.98 |
| Cc (No. 9) | Monoclinic | — | — | — | 5.41 |
| Fd-3m (No. 227) | — | — | — | — | — |
| Fd-3m (No. 227) | — | — | — | — | — |
Applications
Where nickel chromite is used.
Frequently Asked Questions
Common questions about nickel chromite, answered from cross-validated data.
What is Cr2NiO4?
Nickel chromite is a spinel-structured inorganic compound composed of nickel, chromium, and oxygen. It is primarily utilized in industrial settings as a catalyst and as a pigment for ceramics due to its stability at elevated temperatures.
What is Cr2NiO4 used for?
What is the band gap of Cr2NiO4?
Is Cr2NiO4 a metal, semiconductor, or insulator?
Is Cr2NiO4 thermodynamically stable?
What is the crystal structure of Cr2NiO4?
What is the density of Cr2NiO4?
How many polymorphs of Cr2NiO4 are known?
What elements does Cr2NiO4 contain?
Where does the data for Cr2NiO4 come from?
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
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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