Li12P28
Li12P28 is a thermodynamically stable lithium phosphide semiconductor used in materials science research.
About Li12P28
Li12P28 is a lithium phosphide compound that exists as a thermodynamically stable phase on the convex hull. As a semiconducting material, it represents a specialized composition within the binary lithium-phosphorus system, characterized by its distinct structural arrangement.
This compound is of significant interest to researchers studying solid-state ionics and energy storage materials. Its stability and electronic properties make it a subject of investigation for those seeking to optimize charge transport in next-generation electrochemical devices.
Key Properties
Cross-validated computational properties for Li12P28, 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 Li12P28, 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. |
|---|---|---|---|---|---|
| P212121 (No. 19) | orthorhombic | 1.83 | 0.0000 | -7.444 | 2.02 |
| — | — | — | — | — | 1.98 |
| P212121 (No. 19) | — | — | — | — | — |
| P212121 (No. 19) | — | — | — | — | — |
Applications
Where Li12P28 is used.
Frequently Asked Questions
Common questions about Li12P28, answered from cross-validated data.
What is Li12P28?
Li12P28 is a thermodynamically stable lithium phosphide semiconductor used in materials science research.
What is Li12P28 used for?
What is the band gap of Li12P28?
Is Li12P28 a metal, semiconductor, or insulator?
Is Li12P28 thermodynamically stable?
What is the crystal structure of Li12P28?
What is the density of Li12P28?
How many polymorphs of Li12P28 are known?
What elements does Li12P28 contain?
Where does the data for Li12P28 come from?
How It Compares
As a member of the binary lithium-phosphorus system, Li12P28 occupies a unique position due to its inherent thermodynamic stability. Unlike less stable phases that may decompose under certain conditions, this compound remains a robust structural candidate for study within its chemical class.
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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