GeOs

GeOs has a DFT band gap of 0.44 eV across 132 reported structures in 24 space groups. Cross-validated across 2 computational databases.

GeOs
At a glance

Key Properties

Cross-validated computational properties for GeOs, aggregated across 2 databases.

Band Gap

0.44 eV
Range across DFT structures · ground state: metal

Energy Above Hull

0.231 eV/atom
Best (lowest) across sources

Stability

Unstable
1 DFT source

Structures

132
2 databases, 24 space groups
Validation

Cross-Source DFT Agreement

How well independent DFT databases agree on the thermodynamics of GeOs. Tight agreement means computed properties can be trusted without re-running calculations.

Only 1 independent DFT source (oqmd) reports a hull energy for GeOs, so cross-source agreement can't be assessed yet.

Crystallography

Reported Structures

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

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
——0.000.23120.169—
——0.000.23220.170—
——0.000.27860.217—
——0.000.33160.270—
——0.000.90210.840—
——0.441.05320.991—
P1 (No. 1)triclinic———14.86
P1 (No. 1)triclinic———14.74
P1 (No. 1)triclinic———7.81
P1 (No. 1)triclinic———10.14
P1 (No. 1)triclinic———12.28
P1 (No. 1)triclinic———13.50
Reference

Frequently Asked Questions

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

What is the band gap of GeOs?

GeOs has a DFT-computed band gap of 0.44 eV across 132 reported structures. Standard DFT underestimates band gaps, so the measured gap is typically larger.

More questions
Is GeOs a metal, semiconductor, or insulator?
DFT predicts a band gap of up to 0.44 eV (a semiconductor). Measured gaps are typically larger.
Is GeOs thermodynamically stable?
GeOs has a lowest energy above hull of 0.231 eV/atom (unstable).
How many polymorphs of GeOs are known?
132 structures of GeOs are reported across 2 databases, spanning 24 distinct space groups.
What elements does GeOs contain?
GeOs contains Ge and Os (2 elements).
Where does the data for GeOs come from?
GeOs data is cross-referenced from oqmd, mpaloe.
Data sources & attribution
  • oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
  • mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.

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