HOPRb
HOPRb is a thermodynamically stable, insulating inorganic compound containing hydrogen, oxygen, phosphorus, and rubidium.
About HOPRb
HOPRb is a complex inorganic compound composed of hydrogen, oxygen, phosphorus, and rubidium. As a thermodynamically stable material situated on the convex hull, it represents a robust structural arrangement that maintains its integrity under standard conditions.
Characterized as a wide-band-gap insulator, this material possesses electronic properties typical of stable dielectric substances. Its presence across multiple databases highlights its significance as a subject of ongoing structural investigation within the broader landscape of complex phosphate-based materials.
Key Properties
Cross-validated computational properties for HOPRb, 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.
Reported Structures
Lowest-energy structures reported for HOPRb, 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 | 5.15 | 0.0000 | -5.465 | 3.23 |
| Pm (No. 6) | — | — | — | — | — |
| — | — | — | — | — | 2.20 |
Frequently Asked Questions
Common questions about HOPRb, answered from cross-validated data.
What is HOPRb?
HOPRb is a thermodynamically stable, insulating inorganic compound containing hydrogen, oxygen, phosphorus, and rubidium.
What is the band gap of HOPRb?
Is HOPRb a metal, semiconductor, or insulator?
Is HOPRb thermodynamically stable?
What is the crystal structure of HOPRb?
What is the density of HOPRb?
How many polymorphs of HOPRb are known?
What elements does HOPRb contain?
Where does the data for HOPRb come from?
How It Compares
As a unique inorganic compound, HOPRb serves as a distinct entry point for studying the interplay between alkali metals and phosphate-based structural frameworks, offering a stable baseline for future comparative research into similar multi-element insulating systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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