Na8O12Pr4
Na8O12Pr4 is a metastable, semimetallic oxide compound composed of sodium, oxygen, and praseodymium.
About Na8O12Pr4
Na8O12Pr4 is a complex oxide containing sodium, oxygen, and praseodymium. As a metastable phase, it represents a unique arrangement of these elements that exists outside of standard thermodynamic equilibrium, making it a subject of interest for structural studies in solid-state chemistry.
Characterized by a near-zero-gap electronic structure, this material exhibits semimetallic behavior. Its electronic profile and distinct stoichiometry provide researchers with a specialized platform for investigating the interplay between rare-earth ions and alkali metals in oxide lattices.
Key Properties
Cross-validated computational properties for Na8O12Pr4, 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 Na8O12Pr4, 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. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 0.00 | 0.0916 | -6.028 | 4.31 |
| C2/c (No. 15) | monoclinic | 0.00 | 0.1004 | -6.020 | 4.16 |
| C2/c (No. 15) | monoclinic | 0.02 | 0.1011 | -6.019 | 4.15 |
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.1929 | -5.927 | 3.56 |
| C2/c (No. 15) | monoclinic | 0.01 | 0.1966 | -5.923 | 4.75 |
| C2/c (No. 15) | — | — | — | — | — |
| — | — | — | — | — | 3.79 |
Frequently Asked Questions
Common questions about Na8O12Pr4, answered from cross-validated data.
What is Na8O12Pr4?
Na8O12Pr4 is a metastable, semimetallic oxide compound composed of sodium, oxygen, and praseodymium.
What is the band gap of Na8O12Pr4?
Is Na8O12Pr4 a metal, semiconductor, or insulator?
Is Na8O12Pr4 thermodynamically stable?
What is the crystal structure of Na8O12Pr4?
What is the density of Na8O12Pr4?
How many polymorphs of Na8O12Pr4 are known?
What elements does Na8O12Pr4 contain?
Where does the data for Na8O12Pr4 come from?
How It Compares
As a specialized oxide phase, Na8O12Pr4 occupies a niche position in material science. Without direct structural siblings in this specific class, it serves as a distinct example of how complex stoichiometry can influence electronic behavior, contrasting with more common, wide-gap insulating oxides.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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