MgTa
Magnesium tantalate is a binary intermetallic compound composed of magnesium and tantalum. It is primarily studied in materials science research for its structural properties and potential applications in specialized metallurgical processes.
MgTa
Overview
Key Properties
Cross-validated computational properties for MgTa, aggregated across 5 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.
0.349 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
4 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
117
5 databases, 25 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for MgTa, 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. |
|---|---|---|---|---|---|
| Pmma (No. 51) | orthorhombic | 0.00 | 0.3488 | -6.400 | 8.83 |
| P2/m (No. 10) | Monoclinic | — | — | — | 9.00 |
| P-1 (No. 2) | Triclinic | — | — | — | 9.57 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 8.71 |
| C2/m (No. 12) | Monoclinic | — | — | — | 8.81 |
| Pm (No. 6) | Monoclinic | — | — | — | 11.75 |
| Pm (No. 6) | Monoclinic | — | — | — | 6.78 |
| Pm (No. 6) | Monoclinic | — | — | — | 8.90 |
| P21/m (No. 11) | Monoclinic | — | — | — | 11.00 |
| P4/nmm (No. 129) | Tetragonal | — | — | — | 7.12 |
| P4/nmm (No. 129) | Tetragonal | — | — | — | 8.95 |
| Pmma (No. 51) | — | — | — | — | — |
Uses
Applications
Where MgTa is used.
Materials science researchAlloy development studies
Reference
Frequently Asked Questions
Common questions about MgTa, answered from cross-validated data.
What is MgTa?
Magnesium tantalate is a binary intermetallic compound composed of magnesium and tantalum. It is primarily studied in materials science research for its structural properties and potential applications in specialized metallurgical processes.
More questions
What is MgTa used for?
MgTa is used in materials science research and alloy development studies.
What is the band gap of MgTa?
MgTa is computed to be metallic (no band gap) in the reported DFT structures.
Is MgTa a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is MgTa thermodynamically stable?
MgTa has a lowest energy above hull of 0.349 eV/atom (above hull).
What is the crystal structure of MgTa?
The lowest-energy reported polymorph of MgTa is orthorhombic symmetry, space group Pmma (No. 51).
What is the density of MgTa?
The computed density of the ground-state structure of MgTa is 8.83 g/cm³.
How many polymorphs of MgTa are known?
117 structures of MgTa are reported across 5 databases, spanning 25 distinct space groups.
What elements does MgTa contain?
MgTa contains Mg and Ta (2 elements).
Where does the data for MgTa come from?
MgTa data is cross-referenced from materials_project, mpaloe, jarvis, nomad.
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).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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