BiF3
Bismuth trifluoride · Bismuth(III) fluoride
Bismuth trifluoride is an inorganic compound that typically appears as a white crystalline solid. It is primarily utilized as a precursor in the synthesis of other bismuth-containing materials and as a component in specialized chemical processes.
Key Properties
Cross-validated computational properties for Bismuth trifluoride, aggregated across 4 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 BiF3, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 4.68 | 0.0000 | -19.592 | 8.17 |
| P63/mmc (No. 194) | hexagonal | 5.07 | 0.0714 | -19.520 | 8.53 |
| P-43m (No. 215) | cubic | 3.96 | 0.2677 | -19.324 | 9.23 |
| Fm-3m (No. 225) | cubic | 3.97 | 0.2708 | -19.321 | 9.22 |
| P1 (No. 1) | Triclinic | — | — | — | 3.79 |
| Pnma (No. 62) | — | — | — | — | — |
| Pm (No. 6) | Monoclinic | — | — | — | 10.00 |
| P2 (No. 3) | Monoclinic | — | — | — | 6.30 |
| — | — | — | — | — | 9.26 |
| Pm (No. 6) | Monoclinic | — | — | — | 4.40 |
| Cm (No. 8) | Monoclinic | — | — | — | 6.73 |
| P1 (No. 1) | Triclinic | — | — | — | 8.88 |
Applications
Where Bismuth trifluoride is used.
Frequently Asked Questions
Common questions about Bismuth trifluoride, answered from cross-validated data.
What is BiF3?
Bismuth trifluoride is an inorganic compound that typically appears as a white crystalline solid. It is primarily utilized as a precursor in the synthesis of other bismuth-containing materials and as a component in specialized chemical processes.
What is BiF3 used for?
What is the band gap of BiF3?
Is BiF3 a metal, semiconductor, or insulator?
Is BiF3 thermodynamically stable?
What is the crystal structure of BiF3?
What is the density of BiF3?
How many polymorphs of BiF3 are known?
What elements does BiF3 contain?
Where does the data for BiF3 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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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