K8Mo4O36P8

K8Mo4O36P8 is a thermodynamically stable, insulating complex phosphate containing potassium and molybdenum.

KMoOP
Crystal structure of K8Mo4O36P8 (monoclinic, C2/c (No. 15))
Ground-state structure · Materials Project
Overview

About K8Mo4O36P8

K8Mo4O36P8 is a complex inorganic compound composed of potassium, molybdenum, oxygen, and phosphorus. Its electronic character defines it as a wide-band-gap insulator, a property that makes it an interesting candidate for specialized dielectric or electronic applications where stable, non-conductive materials are required. Being thermodynamically stable on the convex hull, this compound represents a robust structural arrangement that persists under standard conditions. Its existence across multiple structural databases highlights its significance as a well-defined phase in the potassium-molybdenum-phosphate system. Researchers study such compounds to understand how complex polyanionic frameworks influence the physical properties of insulating materials.

At a glance

Key Properties

Cross-validated computational properties for K8Mo4O36P8, aggregated across 4 databases.

Band Gap

3.04 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

4
4 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for K8Mo4O36P8, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
C2/c (No. 15)monoclinic3.040.0000-7.3942.82
C2/c (No. 15)
No. 0unknown0.37
1.92
Uses

Applications

Where K8Mo4O36P8 is used.

Dielectric materials researchSolid-state chemistry studiesAdvanced inorganic synthesis
Reference

Frequently Asked Questions

Common questions about K8Mo4O36P8, answered from cross-validated data.

What is K8Mo4O36P8?

K8Mo4O36P8 is a thermodynamically stable, insulating complex phosphate containing potassium and molybdenum.

More questions
What is K8Mo4O36P8 used for?
K8Mo4O36P8 is used in dielectric materials research, solid-state chemistry studies, and advanced inorganic synthesis.
What is the band gap of K8Mo4O36P8?
K8Mo4O36P8 has a DFT-computed band gap of 3.04 eV across 4 reported structures.
Is K8Mo4O36P8 a metal, semiconductor, or insulator?
With a wide band gap up to 3.04 eV it is an insulator / wide-band-gap material.
Is K8Mo4O36P8 thermodynamically stable?
Yes — K8Mo4O36P8 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of K8Mo4O36P8?
The lowest-energy reported polymorph of K8Mo4O36P8 is monoclinic symmetry, space group C2/c (No. 15).
What is the density of K8Mo4O36P8?
The computed density of the ground-state structure of K8Mo4O36P8 is 2.82 g/cm³.
How many polymorphs of K8Mo4O36P8 are known?
4 structures of K8Mo4O36P8 are reported across 4 databases, spanning 2 distinct space groups.
What elements does K8Mo4O36P8 contain?
K8Mo4O36P8 contains K, Mo, O, and P (4 elements).
Where does the data for K8Mo4O36P8 come from?
K8Mo4O36P8 data is cross-referenced from materials_project, aflow, cod, omat24.
Comparison

How It Compares

As a thermodynamically stable phase within the broader landscape of complex phosphates, K8Mo4O36P8 serves as a benchmark for structural integrity in its class. While many complex oxides and phosphates are metastable, this compound occupies a favorable position on the convex hull, suggesting it is a reliable target for synthesis and fundamental characterization compared to less stable counterparts.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
  • cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
  • omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).

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