NaCaBe2B2O6F
Hambergite
Hambergite is a rare beryllium borate mineral that typically forms as colorless or white prismatic crystals. It is primarily studied by mineralogists and collectors due to its unique crystal structure and scarcity in nature.
BBeCaFNaO
Overview
Key Properties
Cross-validated computational properties for Hambergite, 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.
5.05 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.
0.004 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.
Near hull (likely stable)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
4
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for NaCaBe2B2O6F, 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. |
|---|---|---|---|---|---|
| Cc (No. 9) | monoclinic | 5.05 | 0.0036 | -7.381 | 2.65 |
| No. 0 | unknown | — | — | — | 0.69 |
| Cc (No. 9) | — | — | — | — | — |
| Cc (No. 9) | — | — | — | — | — |
Uses
Applications
Where Hambergite is used.
Mineral specimen collectionGeological research
Reference
Frequently Asked Questions
Common questions about Hambergite, answered from cross-validated data.
What is NaCaBe2B2O6F?
Hambergite is a rare beryllium borate mineral that typically forms as colorless or white prismatic crystals. It is primarily studied by mineralogists and collectors due to its unique crystal structure and scarcity in nature.
More questions
What is NaCaBe2B2O6F used for?
Hambergite (NaCaBe2B2O6F) is used in mineral specimen collection and geological research.
What is the band gap of NaCaBe2B2O6F?
Hambergite (NaCaBe2B2O6F) has a DFT-computed band gap of 5.05 eV across 4 reported structures.
Is NaCaBe2B2O6F a metal, semiconductor, or insulator?
With a wide band gap up to 5.05 eV it is an insulator / wide-band-gap material.
Is NaCaBe2B2O6F thermodynamically stable?
Hambergite (NaCaBe2B2O6F) has a lowest energy above hull of 0.004 eV/atom (near hull (likely stable)).
What is the crystal structure of NaCaBe2B2O6F?
The lowest-energy reported polymorph of Hambergite (NaCaBe2B2O6F) is monoclinic symmetry, space group Cc (No. 9).
What is the density of NaCaBe2B2O6F?
The computed density of the ground-state structure of Hambergite (NaCaBe2B2O6F) is 2.65 g/cm³.
How many polymorphs of NaCaBe2B2O6F are known?
4 structures of NaCaBe2B2O6F are reported across 3 databases, spanning 2 distinct space groups.
What elements does NaCaBe2B2O6F contain?
Hambergite (NaCaBe2B2O6F) contains B, Be, Ca, F, Na, and O (6 elements).
Where does the data for NaCaBe2B2O6F come from?
NaCaBe2B2O6F data is cross-referenced from materials_project, cod, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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