LaCO
LaCO is a metastable, semiconducting ternary compound containing lanthanum, carbon, and oxygen.
About LaCO
LaCO is a unique lanthanum-based compound characterized by its semiconducting electronic nature. As a metastable material, it represents a specialized phase that offers researchers insight into complex bonding environments within ternary systems.
Its existence across multiple reported structures highlights its significance in fundamental materials research. By investigating its electronic behavior, scientists can better understand the role of lanthanum in developing novel semiconductor architectures.
Key Properties
Cross-validated computational properties for LaCO, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of LaCO. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for LaCO, 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/m (No. 12) | monoclinic | 3.03 | 0.0193 | -2.154 | — |
| — | — | 3.00 | 0.0526 | -2.065 | — |
| C2/m (No. 12) | monoclinic | 3.01 | 0.0545 | -8.523 | 5.31 |
| P21/m (No. 11) | monoclinic | — | — | — | 4.97 |
| P21/m (No. 11) | monoclinic | — | — | — | 5.70 |
| P21/m (No. 11) | monoclinic | — | — | — | 5.40 |
| Pmn21 (No. 31) | orthorhombic | — | — | — | 5.38 |
| Pmn21 (No. 31) | orthorhombic | — | — | — | 4.14 |
| Pmn21 (No. 31) | orthorhombic | — | — | — | 4.92 |
Applications
Where LaCO is used.
Frequently Asked Questions
Common questions about LaCO, answered from cross-validated data.
What is LaCO?
LaCO is a metastable, semiconducting ternary compound containing lanthanum, carbon, and oxygen.
What is LaCO used for?
What is the band gap of LaCO?
Is LaCO a metal, semiconductor, or insulator?
Is LaCO thermodynamically stable?
What is the crystal structure of LaCO?
How many polymorphs of LaCO are known?
What elements does LaCO contain?
Where does the data for LaCO come from?
How It Compares
As a distinct ternary compound, LaCO occupies a specialized niche in materials science, serving as a primary subject for studies on metastable phase stability and electronic property tuning in lanthanum-containing systems.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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