AgClLiO4
AgClLiO4 has a DFT band gap of Metallic / not reported across 7 reported structures in 2 space groups; its lowest-energy polymorph is cubic (F-43m (No. 216)). Cross-validated across 2 computational databases.
At a glance
Key Properties
Cross-validated computational properties for AgClLiO4, 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.
Metallic / not reported
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.
0.452 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.
7
2 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for AgClLiO4, 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. |
|---|---|---|---|---|---|
| F-43m (No. 216) | cubic | 0.00 | 0.4516 | -4.246 | 2.73 |
| R3m (No. 160) | trigonal | 0.00 | 0.4550 | -4.243 | 2.53 |
| F-43m (No. 216) | cubic | 0.00 | 0.6344 | -4.063 | 3.18 |
| — | — | — | — | — | 2.39 |
| — | — | — | — | — | 2.39 |
| — | — | — | — | — | 2.39 |
| — | — | — | — | — | 3.13 |
Reference
Frequently Asked Questions
Common questions about AgClLiO4, answered from cross-validated data.
What is the band gap of AgClLiO4?
AgClLiO4 is computed to be metallic (no band gap) in the reported DFT structures.
More questions
Is AgClLiO4 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is AgClLiO4 thermodynamically stable?
AgClLiO4 has a lowest energy above hull of 0.452 eV/atom (above hull).
What is the crystal structure of AgClLiO4?
The lowest-energy reported polymorph of AgClLiO4 is cubic symmetry, space group F-43m (No. 216).
What is the density of AgClLiO4?
The computed density of the ground-state structure of AgClLiO4 is 2.73 g/cm³.
How many polymorphs of AgClLiO4 are known?
7 structures of AgClLiO4 are reported across 2 databases, spanning 2 distinct space groups.
What elements does AgClLiO4 contain?
AgClLiO4 contains Ag, Cl, Li, and O (4 elements).
Where does the data for AgClLiO4 come from?
AgClLiO4 data is cross-referenced from materials_project, omat24.
Explore
Related Compounds
Other Antiperovskite Lithium Conductors in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
Analyze AgClLiO4 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →