Basic Information
Formula
Eu(ZnAs)2
MP-ID
mp-1017559
Elements
3
Sites
5
Density
6.6127
g/cm³
Volume
108.64
ų
Cell a
4.2071
Å
Cell b
4.2069
Å
Cell c
7.0876
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-3m1
Point Group
-3m
Crystal System
Trigonal
Bravais Lattice
hP
Stability
Yes
Packing Fraction
0.7405
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 12.49 | 7.0876 | 6.8 | (0,0,0,1) |
| 27.53 | 3.2405 | 50.0 | (1,0,-1,-1) |
| 27.53 | 3.2404 | 22.1 | (1,0,-1,1) |
| 27.53 | 3.2403 | 22.1 | (0,1,-1,-1) |
| 27.53 | 3.2403 | 22.1 | (1,-1,0,-1) |
| 27.53 | 3.2403 | 100.0 | (1,-1,0,1) |
| 35.33 | 2.5404 | 45.1 | (1,0,-1,-2) |
| 35.33 | 2.5403 | 8.1 | (0,1,-1,-2) |
| 35.33 | 2.5403 | 8.1 | (1,-1,0,-2) |
| 35.33 | 2.5403 | 8.1 | (1,0,-1,2) |
| 35.33 | 2.5403 | 45.1 | (0,1,-1,2) |
| 35.33 | 2.5403 | 45.1 | (1,-1,0,2) |
| 38.09 | 2.3625 | 33.5 | (0,0,0,3) |
| 43.00 | 2.1036 | 96.4 | (2,-1,-1,0) |
| 43.00 | 2.1034 | 48.2 | (1,-2,1,0) |
| 45.77 | 1.9823 | 3.3 | (1,0,-1,-3) |
| 45.77 | 1.9823 | 29.5 | (1,-1,0,-3) |
| 45.77 | 1.9822 | 14.8 | (1,0,-1,3) |
| 45.77 | 1.9822 | 6.6 | (1,-1,0,3) |
| 51.58 | 1.7719 | 3.3 | (0,0,0,4) |
| 51.82 | 1.7644 | 3.8 | (2,0,-2,-1) |
| 51.82 | 1.7644 | 8.6 | (2,0,-2,1) |
| 51.82 | 1.7643 | 8.6 | (0,2,-2,-1) |
| 51.82 | 1.7643 | 8.6 | (2,-2,0,-1) |
Energy Properties
Formation Energy/atom
-0.67455
eV/atom
Energy/atom
-5.10412
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-17.9730
eV/atom
Volume/atom
21.73
ų
c/a Ratio
1.6847
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
6.9855
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.064300
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Zn · 0.400
Element Family
3d-TM
Solute Fraction
0.600
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0549
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.7706
J/mol·K
Ω Parameter
0.0000
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
18.776%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3715
smaller = more stable mixing
VEC
7.400
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9602
SS Former
0
Phase Tendency
IM
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1017559
Reference Citation
The crystal structure and related material properties of Eu(ZnAs)2 were obtained from the Materials Project database (MP-ID: mp-1017559, database version v2026.04.13).
Literature Citation
Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0
3D Crystal Structure Rendering
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Raw CIF Data
# generated using pymatgen
data_Eu(ZnAs)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.20713132
_cell_length_b 4.20688282
_cell_length_c 7.08759745
_cell_angle_alpha 90.00000127
_cell_angle_beta 90.00236468
_cell_angle_gamma 119.99803446
_symmetry_Int_Tables_number 1
_chemical_formula_structural Eu(ZnAs)2
_chemical_formula_sum 'Eu1 Zn2 As2'
_cell_volume 108.63874988
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Eu Eu0 1 0.00000000 0.00000000 0.00000000 1.0
Zn Zn1 1 0.66662814 0.33331407 0.36750673 1.0
Zn Zn2 1 0.33337186 0.66668593 0.63249327 1.0
As As3 1 0.66670532 0.33335316 0.73305313 1.0
As As4 1 0.33329468 0.66664684 0.26694687 1.0
