Ga1Mn1Ni2
Ga1Mn1Ni2 has a DFT band gap of Metallic / not reported across 54 reported structures in 18 space groups; its lowest-energy polymorph is tetragonal (I4/mmm (No. 139)). Cross-validated across 2 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Ga1Mn1Ni2, aggregated across 2 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.
0.000 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)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
54
2 databases, 18 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Ga1Mn1Ni2, 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 | 0.00 | 0.0000 | -12.949 | 8.38 |
| Pnnm (No. 58) | orthorhombic | 0.00 | 0.0031 | -12.946 | 8.31 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0068 | -12.942 | 8.49 |
| Fm-3m (No. 225) | cubic | 0.00 | 0.0127 | -12.936 | 8.38 |
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.0285 | -12.921 | 8.20 |
| I4/mmm (No. 139) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
Reference
Frequently Asked Questions
Common questions about Ga1Mn1Ni2, answered from cross-validated data.
What is the band gap of Ga1Mn1Ni2?
Ga1Mn1Ni2 is computed to be metallic (no band gap) in the reported DFT structures.
More questions
Is Ga1Mn1Ni2 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is Ga1Mn1Ni2 thermodynamically stable?
Yes — Ga1Mn1Ni2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Ga1Mn1Ni2?
The lowest-energy reported polymorph of Ga1Mn1Ni2 is tetragonal symmetry, space group I4/mmm (No. 139).
What is the density of Ga1Mn1Ni2?
The computed density of the ground-state structure of Ga1Mn1Ni2 is 8.38 g/cm³.
How many polymorphs of Ga1Mn1Ni2 are known?
54 structures of Ga1Mn1Ni2 are reported across 2 databases, spanning 18 distinct space groups.
What elements does Ga1Mn1Ni2 contain?
Ga1Mn1Ni2 contains Ga, Mn, and Ni (3 elements).
Where does the data for Ga1Mn1Ni2 come from?
Ga1Mn1Ni2 data is cross-referenced from materials_project, aflow.
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Related Compounds
Other Heusler Alloys in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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