Ba2Cu2Nd4O10
Ba2Cu2Nd4O10 has a DFT band gap of 0.58 eV across 7 reported structures in 1 space group; its lowest-energy polymorph is tetragonal (P4/mbm (No. 127)). Cross-validated across 2 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Ba2Cu2Nd4O10, 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.
0.58 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.
0.021 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.
Near hull (likely stable)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
7
2 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for Ba2Cu2Nd4O10, 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. |
|---|---|---|---|---|---|
| P4/mbm (No. 127) | tetragonal | 0.58 | 0.0210 | -7.442 | 7.02 |
| P4/mbm (No. 127) | — | — | — | — | — |
| P4/mbm (No. 127) | — | — | — | — | — |
| P4/mbm (No. 127) | — | — | — | — | — |
| P4/mbm (No. 127) | — | — | — | — | — |
| P4/mbm (No. 127) | — | — | — | — | — |
| P4/mbm (No. 127) | — | — | — | — | — |
Reference
Frequently Asked Questions
Common questions about Ba2Cu2Nd4O10, answered from cross-validated data.
What is the band gap of Ba2Cu2Nd4O10?
Ba2Cu2Nd4O10 has a DFT-computed band gap of 0.58 eV across 7 reported structures.
More questions
Is Ba2Cu2Nd4O10 a metal, semiconductor, or insulator?
With a band gap up to 0.58 eV it is a semiconductor.
Is Ba2Cu2Nd4O10 thermodynamically stable?
Ba2Cu2Nd4O10 has a lowest energy above hull of 0.021 eV/atom (near hull (likely stable)).
What is the crystal structure of Ba2Cu2Nd4O10?
The lowest-energy reported polymorph of Ba2Cu2Nd4O10 is tetragonal symmetry, space group P4/mbm (No. 127).
What is the density of Ba2Cu2Nd4O10?
The computed density of the ground-state structure of Ba2Cu2Nd4O10 is 7.02 g/cm³.
How many polymorphs of Ba2Cu2Nd4O10 are known?
7 structures of Ba2Cu2Nd4O10 are reported across 2 databases, spanning 1 distinct space group.
What elements does Ba2Cu2Nd4O10 contain?
Ba2Cu2Nd4O10 contains Ba, Cu, Nd, and O (4 elements).
Where does the data for Ba2Cu2Nd4O10 come from?
Ba2Cu2Nd4O10 data is cross-referenced from materials_project, aflow.
Explore
Related Compounds
Other Cuprate Superconductors in the database.
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).
Analyze Ba2Cu2Nd4O10 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →