Li4Cr3GaO8
Li4Cr3GaO8 is a wide-band-gap insulating oxide that is theoretically stable enough to be synthesized for research and development.
About Li4Cr3GaO8
Li4Cr3GaO8 is an insulating quaternary oxide characterized by a wide electronic band gap. Its structural composition suggests it is a robust material with significant potential for specialized electronic or optical applications where insulating properties are required.
As a near-hull stable compound, it is considered a prime candidate for experimental synthesis. The high frequency of reported structures across databases highlights its significance as a subject of ongoing interest in solid-state chemistry and materials design.
Key Properties
Cross-validated computational properties for Li4Cr3GaO8, aggregated across 2 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.
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.
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.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Li4Cr3GaO8. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for Li4Cr3GaO8, 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. |
|---|---|---|---|---|---|
| P2/m (No. 10) | monoclinic | 1.25 | 0.0116 | -2.209 | — |
| C2/m (No. 12) | monoclinic | 1.23 | 0.0116 | -2.209 | — |
| P-1 (No. 2) | triclinic | 3.18 | 0.0182 | -7.333 | 4.29 |
| P2/m (No. 10) | monoclinic | 3.04 | 0.0182 | -7.333 | 4.29 |
| C2/m (No. 12) | monoclinic | 3.09 | 0.0187 | -7.333 | 4.28 |
| C2/m (No. 12) | monoclinic | 3.07 | 0.0188 | -7.333 | 4.29 |
| P-1 (No. 2) | triclinic | 3.22 | 0.0217 | -7.330 | 4.29 |
| P-1 (No. 2) | triclinic | 3.12 | 0.0218 | -7.330 | 4.29 |
| P-1 (No. 2) | triclinic | 3.15 | 0.0218 | -7.330 | 4.29 |
| P-1 (No. 2) | triclinic | 3.03 | 0.0218 | -7.330 | 4.30 |
| P-1 (No. 2) | triclinic | 3.17 | 0.0220 | -7.330 | 4.29 |
| P-1 (No. 2) | triclinic | — | — | — | 4.29 |
Applications
Where Li4Cr3GaO8 is used.
Frequently Asked Questions
Common questions about Li4Cr3GaO8, answered from cross-validated data.
What is Li4Cr3GaO8?
Li4Cr3GaO8 is a wide-band-gap insulating oxide that is theoretically stable enough to be synthesized for research and development.
What is Li4Cr3GaO8 used for?
What is the band gap of Li4Cr3GaO8?
Is Li4Cr3GaO8 a metal, semiconductor, or insulator?
Is Li4Cr3GaO8 thermodynamically stable?
What is the crystal structure of Li4Cr3GaO8?
What is the density of Li4Cr3GaO8?
How many polymorphs of Li4Cr3GaO8 are known?
What elements does Li4Cr3GaO8 contain?
Where does the data for Li4Cr3GaO8 come from?
How It Compares
As a unique quaternary oxide, Li4Cr3GaO8 occupies a distinct position within its chemical class, serving as a representative example of how lithium-based complex oxides can be engineered for stability and specific electronic performance.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (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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