LiMnO7P2
LiMnO7P2 has a DFT band gap of 0.09–1.73 eV across 42 reported structures in 9 space groups; its lowest-energy polymorph is monoclinic (C2/c (No. 15)). Cross-validated across 2 computational databases.
At a glance
Key Properties
Cross-validated computational properties for LiMnO7P2, 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.
0.09–1.73 eV
Range across DFT structures
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.
0.000 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.
On hull (stable)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
42
2 databases, 9 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for LiMnO7P2, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 1.24 | 0.0000 | -7.705 | 3.14 |
| P-1 (No. 2) | triclinic | 1.34 | 0.0026 | -7.703 | 3.01 |
| C2 (No. 5) | monoclinic | 1.09 | 0.0031 | -7.702 | 3.23 |
| P21/c (No. 14) | monoclinic | 1.30 | 0.0056 | -7.700 | 2.89 |
| P1 (No. 1) | triclinic | 0.91 | 0.0060 | -7.699 | 2.95 |
| P-1 (No. 2) | triclinic | 1.72 | 0.0106 | -7.695 | 2.98 |
| P21/c (No. 14) | monoclinic | 1.19 | 0.0107 | -7.694 | 2.96 |
| P21/c (No. 14) | monoclinic | 1.42 | 0.0138 | -7.691 | 3.12 |
| Pc (No. 7) | monoclinic | 0.91 | 0.0170 | -7.688 | 2.98 |
| P1 (No. 1) | triclinic | 1.14 | 0.0171 | -7.688 | 2.85 |
| P21/c (No. 14) | monoclinic | 1.27 | 0.0171 | -7.688 | 3.30 |
| P21/c (No. 14) | monoclinic | 1.01 | 0.0192 | -7.686 | 3.17 |
Reference
Frequently Asked Questions
Common questions about LiMnO7P2, answered from cross-validated data.
What is the band gap of LiMnO7P2?
LiMnO7P2 has a DFT-computed band gap of 0.09–1.73 eV across 42 reported structures.
More questions
Is LiMnO7P2 a metal, semiconductor, or insulator?
With a band gap up to 1.73 eV it is a semiconductor.
Is LiMnO7P2 thermodynamically stable?
Yes — LiMnO7P2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of LiMnO7P2?
The lowest-energy reported polymorph of LiMnO7P2 is monoclinic symmetry, space group C2/c (No. 15).
What is the density of LiMnO7P2?
The computed density of the ground-state structure of LiMnO7P2 is 3.14 g/cm³.
How many polymorphs of LiMnO7P2 are known?
42 structures of LiMnO7P2 are reported across 2 databases, spanning 9 distinct space groups.
What elements does LiMnO7P2 contain?
LiMnO7P2 contains Li, Mn, O, and P (4 elements).
Where does the data for LiMnO7P2 come from?
LiMnO7P2 data is cross-referenced from materials_project.
Explore
Related Compounds
Other Olivine Phosphate Cathodes in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
Analyze LiMnO7P2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →