Ca24Li12Mo8N32O6
Ca24Li12Mo8N32O6 is a metastable, semiconducting multinary compound composed of calcium, lithium, molybdenum, nitrogen, and oxygen.
About Ca24Li12Mo8N32O6
Ca24Li12Mo8N32O6 is a complex inorganic compound featuring a unique arrangement of calcium, lithium, molybdenum, nitrogen, and oxygen. As a semiconducting material, it offers interesting electronic properties that distinguish it from simpler binary oxides or nitrides, making it a subject of interest for advanced materials research.
Although it is classified as a metastable phase, its existence across multiple structural databases highlights its significance in the study of complex multinary systems. Its specific composition allows for intricate bonding environments that are essential for exploring new functional materials with tailored electronic responses.
Key Properties
Cross-validated computational properties for Ca24Li12Mo8N32O6, 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 Ca24Li12Mo8N32O6, 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. |
|---|---|---|---|---|---|
| I-43d (No. 220) | cubic | 2.58 | 0.0592 | -6.783 | 3.46 |
| — | — | — | — | — | 3.46 |
| I-43d (No. 220) | — | — | — | — | — |
Applications
Where Ca24Li12Mo8N32O6 is used.
Frequently Asked Questions
Common questions about Ca24Li12Mo8N32O6, answered from cross-validated data.
What is Ca24Li12Mo8N32O6?
Ca24Li12Mo8N32O6 is a metastable, semiconducting multinary compound composed of calcium, lithium, molybdenum, nitrogen, and oxygen.
What is Ca24Li12Mo8N32O6 used for?
What is the band gap of Ca24Li12Mo8N32O6?
Is Ca24Li12Mo8N32O6 a metal, semiconductor, or insulator?
Is Ca24Li12Mo8N32O6 thermodynamically stable?
What is the crystal structure of Ca24Li12Mo8N32O6?
What is the density of Ca24Li12Mo8N32O6?
How many polymorphs of Ca24Li12Mo8N32O6 are known?
What elements does Ca24Li12Mo8N32O6 contain?
Where does the data for Ca24Li12Mo8N32O6 come from?
How It Compares
As a specialized multinary compound, Ca24Li12Mo8N32O6 represents a niche area of solid-state chemistry where the interplay of transition metals and light alkali elements creates complex structural motifs that are not typically found in standard ceramic materials.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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