CrNi
Chromium nickel alloy, Nickel-chromium intermetallic
This intermetallic compound consists of chromium and nickel, often forming the basis for specialized metallic systems. It is primarily valued for its structural stability and resistance to degradation in demanding environments.
CrNi
Overview
Key Properties
Cross-validated computational properties for CrNi, 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.
Metallic / not reported
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.
0.166 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.
Above hull
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
47
4 databases, 14 space groups
Validation
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of CrNi. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
1.00 / 1.00
Trust tier: medium
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
0.000 eV
EAH spread across sources
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
2
jarvis, materials_project
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
All match
Crystallography
Reported Structures
Lowest-energy structures reported for CrNi, 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 | 0.00 | 0.1656 | -13.362 | 8.26 |
| Pm-3m (No. 221) | cubic | 0.00 | 0.2706 | -13.257 | 7.59 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 5.09 |
| P-1 (No. 2) | Triclinic | — | — | — | 8.73 |
| No. 0 | unknown | — | — | — | 4.10 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.65 |
| Cm (No. 8) | Monoclinic | — | — | — | 10.34 |
| Cm (No. 8) | Monoclinic | — | — | — | 8.26 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.61 |
| P21/m (No. 11) | Monoclinic | — | — | — | 6.69 |
| P21/m (No. 11) | Monoclinic | — | — | — | 6.79 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 4.14 |
Uses
Applications
Where CrNi is used.
High-temperature structural componentsCorrosion-resistant coatingsAerospace engineering materialsHeating elements
Reference
Frequently Asked Questions
Common questions about CrNi, answered from cross-validated data.
What is CrNi?
This intermetallic compound consists of chromium and nickel, often forming the basis for specialized metallic systems. It is primarily valued for its structural stability and resistance to degradation in demanding environments.
More questions
What is CrNi used for?
CrNi is used in high-temperature structural components, corrosion-resistant coatings, aerospace engineering materials, and heating elements.
What is the band gap of CrNi?
CrNi is computed to be metallic (no band gap) in the reported DFT structures.
Is CrNi a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is CrNi thermodynamically stable?
CrNi has a lowest energy above hull of 0.166 eV/atom (above hull).
What is the crystal structure of CrNi?
The lowest-energy reported polymorph of CrNi is trigonal symmetry, space group R-3m (No. 166).
What is the density of CrNi?
The computed density of the ground-state structure of CrNi is 8.26 g/cm³.
How many polymorphs of CrNi are known?
47 structures of CrNi are reported across 4 databases, spanning 14 distinct space groups.
What elements does CrNi contain?
CrNi contains Cr and Ni (2 elements).
Where does the data for CrNi come from?
CrNi data is cross-referenced from materials_project, mpaloe, cod, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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