BaMgO2
This compound is a mixed-metal oxide containing barium and magnesium. It is primarily utilized in materials science research as a precursor or component in the development of advanced ceramic materials and electronic substrates.
BaMgO
Overview
Key Properties
Cross-validated computational properties for BaMgO2, 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.
3.16 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.
0.038 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.
Metastable
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
7
3 databases, 4 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for BaMgO2, 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. |
|---|---|---|---|---|---|
| P3121 (No. 152) | trigonal | 3.16 | 0.0377 | -6.255 | 4.56 |
| P3121 (No. 152) | — | — | — | — | — |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.57 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.12 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.02 |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
Uses
Applications
Where BaMgO2 is used.
Materials science researchCeramic synthesisElectronic substrate development
Reference
Frequently Asked Questions
Common questions about BaMgO2, answered from cross-validated data.
What is BaMgO2?
This compound is a mixed-metal oxide containing barium and magnesium. It is primarily utilized in materials science research as a precursor or component in the development of advanced ceramic materials and electronic substrates.
More questions
What is BaMgO2 used for?
BaMgO2 is used in materials science research, ceramic synthesis, and electronic substrate development.
What is the band gap of BaMgO2?
BaMgO2 has a DFT-computed band gap of 3.16 eV across 7 reported structures.
Is BaMgO2 a metal, semiconductor, or insulator?
With a wide band gap up to 3.16 eV it is an insulator / wide-band-gap material.
Is BaMgO2 thermodynamically stable?
BaMgO2 has a lowest energy above hull of 0.038 eV/atom (metastable).
What is the crystal structure of BaMgO2?
The lowest-energy reported polymorph of BaMgO2 is trigonal symmetry, space group P3121 (No. 152).
What is the density of BaMgO2?
The computed density of the ground-state structure of BaMgO2 is 4.56 g/cm³.
How many polymorphs of BaMgO2 are known?
7 structures of BaMgO2 are reported across 3 databases, spanning 4 distinct space groups.
What elements does BaMgO2 contain?
BaMgO2 contains Ba, Mg, and O (3 elements).
Where does the data for BaMgO2 come from?
BaMgO2 data is cross-referenced from materials_project, jarvis, mpaloe.
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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