Ba8Nd8O30Pt2Zn6
This complex quaternary oxide belongs to a class of materials often investigated for their unique structural arrangements and potential electronic properties. Such compounds are primarily studied in solid-state chemistry research to understand how the combination of rare-earth elements, alkaline earth metals, and transition metals influences crystalline behavior.
BaNdOPtZn
Overview
Key Properties
Cross-validated computational properties for Ba8Nd8O30Pt2Zn6, 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.
2.38 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)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
3
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for Ba8Nd8O30Pt2Zn6, 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. |
|---|---|---|---|---|---|
| P63mc (No. 186) | hexagonal | 2.38 | 0.0000 | -6.915 | 6.95 |
| P63mc (No. 186) | — | — | — | — | — |
| — | — | — | — | — | 6.32 |
Uses
Applications
Where Ba8Nd8O30Pt2Zn6 is used.
Solid-state chemistry researchMaterials science explorationCrystallographic studies
Reference
Frequently Asked Questions
Common questions about Ba8Nd8O30Pt2Zn6, answered from cross-validated data.
What is Ba8Nd8O30Pt2Zn6?
This complex quaternary oxide belongs to a class of materials often investigated for their unique structural arrangements and potential electronic properties. Such compounds are primarily studied in solid-state chemistry research to understand how the combination of rare-earth elements, alkaline earth metals, and transition metals influences crystalline behavior.
What is Ba8Nd8O30Pt2Zn6 used for?
Ba8Nd8O30Pt2Zn6 is used in solid-state chemistry research, materials science exploration, and crystallographic studies.
What is the band gap of Ba8Nd8O30Pt2Zn6?
Ba8Nd8O30Pt2Zn6 has a DFT-computed band gap of 2.38 eV across 3 reported structures.
Is Ba8Nd8O30Pt2Zn6 a metal, semiconductor, or insulator?
With a band gap up to 2.38 eV it is a semiconductor.
Is Ba8Nd8O30Pt2Zn6 thermodynamically stable?
Yes — Ba8Nd8O30Pt2Zn6 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Ba8Nd8O30Pt2Zn6?
The lowest-energy reported polymorph of Ba8Nd8O30Pt2Zn6 is hexagonal symmetry, space group P63mc (No. 186).
What is the density of Ba8Nd8O30Pt2Zn6?
The computed density of the ground-state structure of Ba8Nd8O30Pt2Zn6 is 6.95 g/cm³.
How many polymorphs of Ba8Nd8O30Pt2Zn6 are known?
3 structures of Ba8Nd8O30Pt2Zn6 are reported across 3 databases, spanning 1 distinct space group.
What elements does Ba8Nd8O30Pt2Zn6 contain?
Ba8Nd8O30Pt2Zn6 contains Ba, Nd, O, Pt, and Zn (5 elements).
Where does the data for Ba8Nd8O30Pt2Zn6 come from?
Ba8Nd8O30Pt2Zn6 data is cross-referenced from materials_project, aflow, omat24.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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