Zn3Rh
Traditional Materials TRA Elasticity Data ELAMP-ID: mp-980200 · Space group: P6_3/mmc (#194)
Basic Information
Formula
Zn3Rh
MP-ID
mp-980200
Elements
2
Sites
8
Density
9.2061
g/cm³
Volume
107.91
ų
Cell a
5.3552
Å
Cell b
5.3552
Å
Cell c
4.3450
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 18)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 19.14 | 4.6378 | 2.5 | (1,0,-1,0) |
| 28.14 | 3.1708 | 3.6 | (1,0,-1,1) |
| 33.47 | 2.6776 | 1.7 | (2,-1,-1,0) |
| 38.84 | 2.3189 | 8.1 | (2,0,-2,0) |
| 38.84 | 2.3189 | 16.3 | (2,-2,0,0) |
| 41.57 | 2.1725 | 26.8 | (0,0,0,2) |
| 44.28 | 2.0458 | 100.0 | (2,0,-2,1) |
| 56.62 | 1.6256 | 1.2 | (3,-2,-1,1) |
| 58.19 | 1.5854 | 14.3 | (2,0,-2,2) |
| 70.32 | 1.3388 | 10.5 | (4,-2,-2,0) |
| 70.32 | 1.3388 | 5.2 | (2,-4,2,0) |
| 77.74 | 1.2284 | 11.7 | (2,0,-2,3) |
| 77.74 | 1.2284 | 5.8 | (0,2,-2,3) |
| 85.12 | 1.1398 | 12.3 | (4,-2,-2,2) |
| 85.12 | 1.1398 | 6.1 | (2,-4,2,2) |
| 86.97 | 1.1202 | 4.4 | (4,0,-4,1) |
| 86.97 | 1.1202 | 4.4 | (4,-4,0,1) |
| 86.97 | 1.1202 | 4.4 | (0,4,-4,1) |
Energy Properties
Formation Energy/atom
-0.34694
eV/atom
Energy/atom
-13.06395
eV/atom
Energy above Hull
0.0056
eV/atom
Uncorrected Energy
-13.0639
eV/atom
Volume/atom
13.49
ų
c/a Ratio
0.8114
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
KVRH
125.139
GPa
GVRH
36.556
GPa
Young's Modulus E
99.937
GPa
Poisson Ratio ν
0.367
Pugh Ratio K/G
3.423
Vickers Hardness Est.
0.891
GPa
Ductility
Brittle
Anisotropy
0.073
Lame λ
100.768
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Zn · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.883
Family
Zn-based Alloy
Matrix Element
Zn · 0.750
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.0730
Homogeneous Poisson ν
0.3670
Debye Temperature
280.8
K
Sound Velocity
2,245.6
m/s
Homogeneity
0.3670
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-980200
Reference Citation
The crystal structure and related material properties of Zn3Rh were obtained from the Materials Project database (MP-ID: mp-980200, 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_Zn3Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.35521060
_cell_length_b 5.35520992
_cell_length_c 4.34494910
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999791
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zn3Rh
_chemical_formula_sum 'Zn6 Rh2'
_cell_volume 107.91166366
_cell_formula_units_Z 2
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
Zn Zn0 1 0.16860361 0.33720823 0.25000200 1.0
Zn Zn1 1 0.66279377 0.83139739 0.25000200 1.0
Zn Zn2 1 0.16860161 0.83139739 0.25000200 1.0
Zn Zn3 1 0.83139639 0.66279177 0.75000100 1.0
Zn Zn4 1 0.33720823 0.16860361 0.75000100 1.0
Zn Zn5 1 0.83139739 0.16860361 0.75000100 1.0
Rh Rh6 1 0.33333400 0.66666700 0.75000100 1.0
Rh Rh7 1 0.66666600 0.33333300 0.25000200 1.0
