LiCrCO4
LiCrCO4 is a metastable, semiconducting inorganic compound containing lithium, chromium, carbon, and oxygen.
About LiCrCO4
LiCrCO4 is a complex inorganic compound composed of lithium, chromium, carbon, and oxygen. As a semiconducting material, it exhibits electronic properties that distinguish it from simple ionic salts, making it a subject of interest for fundamental solid-state research.
This material is characterized as metastable, indicating that its existence depends on specific synthesis conditions rather than being the most stable configuration of its constituent elements. Its structural diversity is highlighted by multiple reported configurations across databases, reflecting the complexity of its atomic arrangement.
Key Properties
Cross-validated computational properties for LiCrCO4, 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.
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.
Reported Structures
Lowest-energy structures reported for LiCrCO4, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 2.91 | 0.0297 | -7.971 | 3.29 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.29 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.38 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.53 |
| Pnma (No. 62) | — | — | — | — | — |
Frequently Asked Questions
Common questions about LiCrCO4, answered from cross-validated data.
What is LiCrCO4?
LiCrCO4 is a metastable, semiconducting inorganic compound containing lithium, chromium, carbon, and oxygen.
What is the band gap of LiCrCO4?
Is LiCrCO4 a metal, semiconductor, or insulator?
Is LiCrCO4 thermodynamically stable?
What is the crystal structure of LiCrCO4?
What is the density of LiCrCO4?
How many polymorphs of LiCrCO4 are known?
What elements does LiCrCO4 contain?
Where does the data for LiCrCO4 come from?
How It Compares
As a unique inorganic compound, LiCrCO4 represents a specific structural niche. Without direct structural siblings in this context, it serves as a distinct example of how transition metals and light elements can combine to form metastable semiconducting frameworks.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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