BiO3P
Bismuth phosphate · Bismuth(III) phosphate
Bismuth phosphate is an inorganic compound that typically appears as a white crystalline solid. It is primarily utilized in the chemical industry as a catalyst and as a precursor for the synthesis of other bismuth-based materials.
BiOP
Overview
Key Properties
Cross-validated computational properties for Bismuth phosphate, 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.
0.01–4.62 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.
0.000 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.
On hull (stable)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
11
3 databases, 7 space groups
Validation
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of BiO3P. 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.
1.00 / 1.00
Trust tier: medium
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
0.000 eV
EAH spread across sources
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
1
materials_project
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
All match
Crystallography
Reported Structures
Lowest-energy structures reported for BiO3P, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 4.62 | 0.0000 | -7.462 | 7.33 |
| C2/c (No. 15) | monoclinic | 0.00 | 0.0306 | -7.380 | 7.04 |
| P21 (No. 4) | monoclinic | 0.00 | 0.0368 | -7.373 | 6.47 |
| C2221 (No. 20) | orthorhombic | 0.01 | 0.0377 | -7.372 | 6.04 |
| P21/c (No. 14) | monoclinic | 0.00 | 0.0404 | -7.370 | 6.69 |
| P21/c (No. 14) | monoclinic | 0.00 | 0.0412 | -7.369 | 6.75 |
| P21/c (No. 14) | monoclinic | 0.09 | 0.0465 | -7.364 | 6.11 |
| Pbcn (No. 60) | orthorhombic | 0.13 | 0.0597 | -7.350 | 5.75 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0723 | -7.338 | 5.91 |
| — | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 2.97 |
Uses
Applications
Where Bismuth phosphate is used.
CatalysisPrecursor for advanced ceramicsLuminescent materialsIon exchange materials
Reference
Frequently Asked Questions
Common questions about Bismuth phosphate, answered from cross-validated data.
What is BiO3P?
Bismuth phosphate is an inorganic compound that typically appears as a white crystalline solid. It is primarily utilized in the chemical industry as a catalyst and as a precursor for the synthesis of other bismuth-based materials.
More questions
What is BiO3P used for?
Bismuth phosphate (BiO3P) is used in catalysis, precursor for advanced ceramics, luminescent materials, and ion exchange materials.
What is the band gap of BiO3P?
Bismuth phosphate (BiO3P) has a DFT-computed band gap of 0.01–4.62 eV across 11 reported structures.
Is BiO3P a metal, semiconductor, or insulator?
With a wide band gap up to 4.62 eV it is an insulator / wide-band-gap material.
Is BiO3P thermodynamically stable?
Yes — Bismuth phosphate (BiO3P) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of BiO3P?
The lowest-energy reported polymorph of Bismuth phosphate (BiO3P) is monoclinic symmetry, space group P21/c (No. 14).
What is the density of BiO3P?
The computed density of the ground-state structure of Bismuth phosphate (BiO3P) is 7.33 g/cm³.
How many polymorphs of BiO3P are known?
11 structures of BiO3P are reported across 3 databases, spanning 7 distinct space groups.
What elements does BiO3P contain?
Bismuth phosphate (BiO3P) contains Bi, O, and P (3 elements).
Where does the data for BiO3P come from?
BiO3P data is cross-referenced from materials_project, alexandria, cod.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- alexandria — Data from alexandria.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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