Gd4Mo4O20
This compound is a complex oxide containing gadolinium and molybdenum. It is primarily studied in materials science research for its structural properties and potential magnetic or electronic characteristics.
GdMoO
Overview
Key Properties
Cross-validated computational properties for Gd4Mo4O20, 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.
0.04 eV
Range across DFT structures
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.
0.108 eV/atom
Best (lowest) across sources
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.
Above hull
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
3
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Gd4Mo4O20, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 0.04 | 0.1083 | -9.596 | 5.14 |
| No. 0 | unknown | — | — | — | 0.17 |
| — | — | — | — | — | 5.13 |
Uses
Applications
Where Gd4Mo4O20 is used.
Solid-state chemistry researchMaterials science explorationCatalysis studies
Reference
Frequently Asked Questions
Common questions about Gd4Mo4O20, answered from cross-validated data.
What is Gd4Mo4O20?
This compound is a complex oxide containing gadolinium and molybdenum. It is primarily studied in materials science research for its structural properties and potential magnetic or electronic characteristics.
More questions
What is Gd4Mo4O20 used for?
Gd4Mo4O20 is used in solid-state chemistry research, materials science exploration, and catalysis studies.
What is the band gap of Gd4Mo4O20?
Gd4Mo4O20 has a DFT-computed band gap of 0.04 eV across 3 reported structures.
Is Gd4Mo4O20 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Gd4Mo4O20 thermodynamically stable?
Gd4Mo4O20 has a lowest energy above hull of 0.108 eV/atom (above hull).
What is the crystal structure of Gd4Mo4O20?
The lowest-energy reported polymorph of Gd4Mo4O20 is monoclinic symmetry, space group P21/c (No. 14).
What is the density of Gd4Mo4O20?
The computed density of the ground-state structure of Gd4Mo4O20 is 5.14 g/cm³.
How many polymorphs of Gd4Mo4O20 are known?
3 structures of Gd4Mo4O20 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Gd4Mo4O20 contain?
Gd4Mo4O20 contains Gd, Mo, and O (3 elements).
Where does the data for Gd4Mo4O20 come from?
Gd4Mo4O20 data is cross-referenced from materials_project, cod, omat24.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- 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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