BHO2
Metaboric acid · HBO2
Metaboric acid is a chemical compound formed through the dehydration of orthoboric acid. It is primarily utilized as a precursor in the synthesis of various borate compounds and as a component in specialized chemical manufacturing processes.
BHO
Overview
Key Properties
Cross-validated computational properties for Metaboric acid, 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.
6.28–7.22 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)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
23
4 databases, 12 space groups
Validation
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of BHO2. 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.
2
jarvis, 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 BHO2, 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 | 6.28 | 0.0000 | -7.251 | 2.10 |
| Pnma (No. 62) | orthorhombic | 6.30 | 0.0027 | -7.248 | 1.92 |
| P-43n (No. 218) | cubic | 7.22 | 0.0056 | -7.245 | 2.43 |
| No. 0 | unknown | — | — | — | 0.10 |
| No. 0 | unknown | — | — | — | 0.10 |
| No. 0 | unknown | — | — | — | 0.52 |
| P3m1 (No. 156) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| C2/c (No. 15) | Monoclinic | — | — | — | 3.89 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 3.53 |
Uses
Applications
Where Metaboric acid is used.
Chemical synthesisPrecursor for borate materialsIndustrial manufacturing
Reference
Frequently Asked Questions
Common questions about Metaboric acid, answered from cross-validated data.
What is BHO2?
Metaboric acid is a chemical compound formed through the dehydration of orthoboric acid. It is primarily utilized as a precursor in the synthesis of various borate compounds and as a component in specialized chemical manufacturing processes.
More questions
What is BHO2 used for?
Metaboric acid (BHO2) is used in chemical synthesis, precursor for borate materials, and industrial manufacturing.
What is the band gap of BHO2?
Metaboric acid (BHO2) has a DFT-computed band gap of 6.28–7.22 eV across 23 reported structures.
Is BHO2 a metal, semiconductor, or insulator?
With a wide band gap up to 7.22 eV it is an insulator / wide-band-gap material.
Is BHO2 thermodynamically stable?
Yes — Metaboric acid (BHO2) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of BHO2?
The lowest-energy reported polymorph of Metaboric acid (BHO2) is monoclinic symmetry, space group P21/c (No. 14).
What is the density of BHO2?
The computed density of the ground-state structure of Metaboric acid (BHO2) is 2.10 g/cm³.
How many polymorphs of BHO2 are known?
23 structures of BHO2 are reported across 4 databases, spanning 12 distinct space groups.
What elements does BHO2 contain?
Metaboric acid (BHO2) contains B, H, and O (3 elements).
Where does the data for BHO2 come from?
BHO2 data is cross-referenced from materials_project, cod, jarvis, mpaloe.
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).
- mpaloe — Data from mpaloe.
Analyze BHO2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →