HOPRb

HOPRb is a thermodynamically stable, insulating inorganic compound containing hydrogen, oxygen, phosphorus, and rubidium.

HOPRb
Overview

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.

At a glance

Key Properties

Cross-validated computational properties for HOPRb, aggregated across 3 databases.

Band Gap

5.15 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

3
3 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for HOPRb, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Pnma (No. 62)orthorhombic5.150.0000-5.4653.23
Pm (No. 6)
2.20
Reference

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.

More questions
What is the band gap of HOPRb?
HOPRb has a DFT-computed band gap of 5.15 eV across 3 reported structures.
Is HOPRb a metal, semiconductor, or insulator?
With a wide band gap up to 5.15 eV it is an insulator / wide-band-gap material.
Is HOPRb thermodynamically stable?
Yes — HOPRb sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of HOPRb?
The lowest-energy reported polymorph of HOPRb is orthorhombic symmetry, space group Pnma (No. 62).
What is the density of HOPRb?
The computed density of the ground-state structure of HOPRb is 3.23 g/cm³.
How many polymorphs of HOPRb are known?
3 structures of HOPRb are reported across 3 databases, spanning 2 distinct space groups.
What elements does HOPRb contain?
HOPRb contains H, O, P, and Rb (4 elements).
Where does the data for HOPRb come from?
HOPRb data is cross-referenced from materials_project, nomad, omat24.
Comparison

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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