KBi

Potassium bismuthide is a binary intermetallic compound composed of potassium and bismuth. It is primarily studied in the field of solid-state chemistry and materials science for its structural properties and potential electronic characteristics.

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Crystal structure of KBi (monoclinic, P21/c (No. 14))
Ground-state structure · Materials Project
Overview

Key Properties

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

Band Gap

0.43 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

47
3 databases, 11 space groups
Crystallography

Reported Structures

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

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P21/c (No. 14)monoclinic0.430.0000-32.7365.00
P1 (No. 1)Triclinic4.09
C2/m (No. 12)Monoclinic3.76
C2/m (No. 12)Monoclinic4.15
P1 (No. 1)Triclinic2.84
P1 (No. 1)Triclinic3.14
P21/c (No. 14)
P-1 (No. 2)Triclinic2.11
P-1 (No. 2)Triclinic2.32
P-1 (No. 2)Triclinic3.16
P-1 (No. 2)Triclinic1.95
P-1 (No. 2)Triclinic3.64
Uses

Applications

Where KBi is used.

Materials science researchSolid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about KBi, answered from cross-validated data.

What is KBi?

Potassium bismuthide is a binary intermetallic compound composed of potassium and bismuth. It is primarily studied in the field of solid-state chemistry and materials science for its structural properties and potential electronic characteristics.

More questions
What is KBi used for?
KBi is used in materials science research and solid-state chemistry studies.
What is the band gap of KBi?
KBi has a DFT-computed band gap of 0.43 eV across 47 reported structures.
Is KBi a metal, semiconductor, or insulator?
With a band gap up to 0.43 eV it is a semiconductor.
Is KBi thermodynamically stable?
Yes — KBi sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of KBi?
The lowest-energy reported polymorph of KBi is monoclinic symmetry, space group P21/c (No. 14).
What is the density of KBi?
The computed density of the ground-state structure of KBi is 5.00 g/cm³.
How many polymorphs of KBi are known?
47 structures of KBi are reported across 3 databases, spanning 11 distinct space groups.
What elements does KBi contain?
KBi contains Bi and K (2 elements).
Where does the data for KBi come from?
KBi data is cross-referenced from materials_project, mpaloe, jarvis.
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).

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