Basic Information
Formula
EuZnGe
MP-ID
mp-1103084
Elements
3
Sites
12
Density
7.0858
g/cm³
Volume
271.85
ų
Cell a
4.2811
Å
Cell b
4.2811
Å
Cell c
17.1274
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3/mmc
Point Group
6/mmm
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
No
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 15)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 24.00 | 3.7076 | 12.2 | (1,0,-1,0) |
| 31.93 | 2.8029 | 100.0 | (1,0,-1,4) |
| 42.21 | 2.1409 | 13.5 | (0,0,0,8) |
| 42.22 | 2.1406 | 40.6 | (2,-1,-1,0) |
| 49.14 | 1.8540 | 3.7 | (1,0,-1,8) |
| 49.15 | 1.8538 | 1.2 | (2,0,-2,0) |
| 53.89 | 1.7012 | 22.4 | (2,0,-2,4) |
| 61.23 | 1.5137 | 26.4 | (2,-1,-1,8) |
| 66.75 | 1.4014 | 1.5 | (2,0,-2,8) |
| 66.75 | 1.4013 | 1.5 | (3,-1,-2,0) |
| 70.73 | 1.3320 | 9.8 | (1,0,-1,12) |
| 70.74 | 1.3318 | 19.7 | (3,-1,-2,4) |
| 77.19 | 1.2359 | 6.7 | (3,0,-3,0) |
| 82.22 | 1.1725 | 1.8 | (3,-1,-2,8) |
| 85.95 | 1.1309 | 6.0 | (2,0,-2,12) |
Energy Properties
Formation Energy/atom
-0.54511
eV/atom
Energy/atom
-5.93541
eV/atom
Energy above Hull
0.0222
eV/atom
Uncorrected Energy
-5.9354
eV/atom
Volume/atom
22.65
ų
c/a Ratio
4.0007
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
28.2793
μB
Mag. Ordering
FM
Mag. Sites
4
Magnetization/Volume
0.104020
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Eu · 0.333
Element Family
Lanthanide
Solute Fraction
0.667
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0986
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.1339
J/mol·K
Ω Parameter
1.3089
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
17.851%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3314
smaller = more stable mixing
VEC
7.667
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-6.986
kJ/mol; negative = exothermic mixing
Entropy Norm
1.0000
SS Former
0
Phase Tendency
IM
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1103084
Reference Citation
The crystal structure and related material properties of EuZnGe were obtained from the Materials Project database (MP-ID: mp-1103084, 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_EuZnGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.28111805
_cell_length_b 4.28111805
_cell_length_c 17.12739700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000074
_symmetry_Int_Tables_number 1
_chemical_formula_structural EuZnGe
_chemical_formula_sum 'Eu4 Zn4 Ge4'
_cell_volume 271.85442063
_cell_formula_units_Z 4
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 0.50000000 1.0
Eu Eu1 1 0.00000000 0.00000000 0.00000000 1.0
Eu Eu2 1 0.00000000 0.00000000 0.25000000 1.0
Eu Eu3 1 0.00000000 0.00000000 0.75000000 1.0
Zn Zn4 1 0.33333300 0.66666700 0.37468500 1.0
Zn Zn5 1 0.66666700 0.33333300 0.62531500 1.0
Zn Zn6 1 0.66666700 0.33333300 0.87468500 1.0
Zn Zn7 1 0.33333300 0.66666700 0.12531500 1.0
Ge Ge8 1 0.66666700 0.33333300 0.37599000 1.0
Ge Ge9 1 0.33333300 0.66666700 0.62401000 1.0
Ge Ge10 1 0.33333300 0.66666700 0.87599000 1.0
Ge Ge11 1 0.66666700 0.33333300 0.12401000 1.0
