NdAs2
Neodymium diarsenide is a binary inorganic compound composed of neodymium and arsenic. It is primarily studied in the field of condensed matter physics for its magnetic and electronic properties.
AsNd
Overview
Key Properties
Cross-validated computational properties for NdAs2, aggregated across 4 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.
0.04 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.
0.020 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)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
9
4 databases, 5 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for NdAs2, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 0.04 | 0.0203 | -20.778 | 6.74 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 6.20 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 6.18 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 6.22 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.14 |
| P-1 (No. 2) | Triclinic | — | — | — | 6.73 |
| P-1 (No. 2) | Triclinic | — | — | — | 6.87 |
| P21/c (No. 14) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.74 |
Uses
Applications
Where NdAs2 is used.
Solid-state physics researchMagnetic materials developmentSemiconductor material studies
Reference
Frequently Asked Questions
Common questions about NdAs2, answered from cross-validated data.
What is NdAs2?
Neodymium diarsenide is a binary inorganic compound composed of neodymium and arsenic. It is primarily studied in the field of condensed matter physics for its magnetic and electronic properties.
More questions
What is NdAs2 used for?
NdAs2 is used in solid-state physics research, magnetic materials development, and semiconductor material studies.
What is the band gap of NdAs2?
NdAs2 has a DFT-computed band gap of 0.04 eV across 9 reported structures.
Is NdAs2 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is NdAs2 thermodynamically stable?
NdAs2 has a lowest energy above hull of 0.020 eV/atom (near hull (likely stable)).
What is the crystal structure of NdAs2?
The lowest-energy reported polymorph of NdAs2 is monoclinic symmetry, space group P21/c (No. 14).
What is the density of NdAs2?
The computed density of the ground-state structure of NdAs2 is 6.74 g/cm³.
How many polymorphs of NdAs2 are known?
9 structures of NdAs2 are reported across 4 databases, spanning 5 distinct space groups.
What elements does NdAs2 contain?
NdAs2 contains As and Nd (2 elements).
Where does the data for NdAs2 come from?
NdAs2 data is cross-referenced from materials_project, mpaloe, jarvis, cod.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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