NdSbO4
NdSbO4 is a thermodynamically stable semiconducting oxide containing neodymium and antimony.
About NdSbO4
NdSbO4 is a thermodynamically stable inorganic compound composed of neodymium, antimony, and oxygen. As a member of the broader family of complex oxides, it exhibits semiconducting electronic behavior, making it a subject of interest for researchers investigating functional materials with stable crystalline architectures. The compound is well-documented across multiple structural databases, reflecting its significance in materials science research. Its stability on the convex hull suggests it is a robust phase capable of maintaining its structural integrity under standard conditions. This reliability makes it a valuable candidate for further exploration in electronic and optoelectronic material development.
Key Properties
Cross-validated computational properties for NdSbO4, 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 NdSbO4. 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 NdSbO4, 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. |
|---|---|---|---|---|---|
| — | — | 2.65 | 0.0000 | -2.618 | — |
| P21/c (No. 14) | monoclinic | 2.30 | 0.0000 | -2.502 | — |
| P21/c (No. 14) | monoclinic | 2.23 | 0.0000 | -7.581 | 6.87 |
| — | — | 2.51 | 0.0261 | -2.591 | — |
| P21/c (No. 14) | monoclinic | — | — | — | 6.66 |
| P21/c (No. 14) | monoclinic | — | — | — | 7.26 |
| P21/c (No. 14) | monoclinic | — | — | — | 6.92 |
Applications
Where NdSbO4 is used.
Frequently Asked Questions
Common questions about NdSbO4, answered from cross-validated data.
What is NdSbO4?
NdSbO4 is a thermodynamically stable semiconducting oxide containing neodymium and antimony.
What is NdSbO4 used for?
What is the band gap of NdSbO4?
Is NdSbO4 a metal, semiconductor, or insulator?
Is NdSbO4 thermodynamically stable?
What is the crystal structure of NdSbO4?
How many polymorphs of NdSbO4 are known?
What elements does NdSbO4 contain?
Where does the data for NdSbO4 come from?
How It Compares
As a distinct oxide phase, NdSbO4 occupies a unique position within the landscape of ternary neodymium-antimony-oxygen compounds. While it shares the general characteristics of rare-earth antimonates, its specific electronic profile and structural stability distinguish it as a reliable material for fundamental studies in semiconductor physics.
Data sources & attribution
- 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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- 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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