NaMn3F10
NaMn3F10 is a semiconducting sodium manganese fluoride compound that exists in a metastable state.
About NaMn3F10
NaMn3F10 is a complex fluoride compound containing sodium and manganese. As a semiconducting material, it represents a unique arrangement of elements that has been documented across multiple structural databases, reflecting its interest in solid-state chemistry research.
Due to its position above the thermodynamic hull, this compound is considered metastable. Its existence in multiple reported structures suggests that while it may not be the ground-state phase, it remains a subject of investigation for those studying the structural diversity of metal fluorides.
Key Properties
Cross-validated computational properties for NaMn3F10, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of NaMn3F10. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for NaMn3F10, 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. |
|---|---|---|---|---|---|
| Fdd2 (No. 43) | orthorhombic | 1.55 | 0.0003 | -6.251 | 3.34 |
| Fdd2 (No. 43) | orthorhombic | 0.08 | 0.0067 | -2.606 | — |
| — | — | 0.00 | 0.1285 | -2.668 | — |
| Fdd2 (No. 43) | orthorhombic | — | — | — | 3.13 |
| Fdd2 (No. 43) | orthorhombic | — | — | — | 3.37 |
| Fdd2 (No. 43) | orthorhombic | — | — | — | 3.27 |
Frequently Asked Questions
Common questions about NaMn3F10, answered from cross-validated data.
What is NaMn3F10?
NaMn3F10 is a semiconducting sodium manganese fluoride compound that exists in a metastable state.
What is the band gap of NaMn3F10?
Is NaMn3F10 a metal, semiconductor, or insulator?
Is NaMn3F10 thermodynamically stable?
What is the crystal structure of NaMn3F10?
What is the density of NaMn3F10?
How many polymorphs of NaMn3F10 are known?
What elements does NaMn3F10 contain?
Where does the data for NaMn3F10 come from?
How It Compares
As a specialized fluoride, NaMn3F10 occupies a distinct niche in the landscape of manganese-based compounds. Without direct structural siblings in this specific class, it serves as a unique case study for understanding how complex stoichiometry influences the stability and electronic behavior of fluoride-based semiconductors.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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