BaO10
This compound is a barium polyoxide species characterized by a high oxygen content relative to the barium cation. It is primarily studied in the context of high-pressure chemistry and fundamental solid-state research regarding peroxide and superoxide bonding motifs.
Key Properties
Cross-validated computational properties for BaO10, 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 BaO10, 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. |
|---|---|---|---|---|---|
| P4/mcc (No. 124) | tetragonal | 0.00 | 0.0000 | -5.274 | 2.83 |
| P4/mcc (No. 124) | tetragonal | 0.17 | 0.0412 | -5.233 | 2.95 |
| P4/mcc (No. 124) | tetragonal | 0.00 | 0.0671 | -5.207 | 2.48 |
| P21/c (No. 14) | monoclinic | 0.00 | 0.1824 | -5.092 | 2.54 |
| P21/c (No. 14) | monoclinic | 0.00 | 0.2185 | -5.056 | 2.74 |
| P4/mcc (No. 124) | Tetragonal | — | — | — | 2.94 |
| P4/mcc (No. 124) | Tetragonal | — | — | — | 3.01 |
| P4/mcc (No. 124) | Tetragonal | — | — | — | 2.95 |
| P4/mcc (No. 124) | Tetragonal | — | — | — | 2.48 |
| P4/mcc (No. 124) | Tetragonal | — | — | — | 2.57 |
| P4/mcc (No. 124) | Tetragonal | — | — | — | 2.50 |
| P4/mcc (No. 124) | — | — | — | — | — |
Applications
Where BaO10 is used.
Frequently Asked Questions
Common questions about BaO10, answered from cross-validated data.
What is BaO10?
This compound is a barium polyoxide species characterized by a high oxygen content relative to the barium cation. It is primarily studied in the context of high-pressure chemistry and fundamental solid-state research regarding peroxide and superoxide bonding motifs.
What is BaO10 used for?
What is the band gap of BaO10?
Is BaO10 a metal, semiconductor, or insulator?
Is BaO10 thermodynamically stable?
What is the crystal structure of BaO10?
What is the density of BaO10?
How many polymorphs of BaO10 are known?
What elements does BaO10 contain?
Where does the data for BaO10 come from?
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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