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YbZn2

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-657 · Space group: Imma (#74)

Materials Project API

Basic Information

Formula
YbZn2
MP-ID
mp-657
Elements
2
Sites
6
Density
9.0122
g/cm³
Volume
111.97
ų
Cell a
4.3792
Å
Cell b
5.5186
Å
Cell c
5.5186
Å
α Angle
76.80
°
β Angle
66.62
°
γ Angle
66.62
°
Space Group
Imma
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oI
Stability
Yes
Packing Fraction
-

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
23.56 3.7765 24.0 (1,1,1)
23.86 3.7296 9.9 (0,1,1)
25.99 3.4279 2.2 (0,1,-1)
34.18 2.6233 18.7 (1,2,1)
35.36 2.5382 100.0 (1,2,0)
35.57 2.5238 45.0 (0,2,0)
38.52 2.3374 6.1 (0,2,1)
41.23 2.1896 30.5 (2,1,1)
41.32 2.1850 8.9 (0,2,-1)
41.78 2.1622 49.4 (1,2,2)
48.19 1.8883 3.2 (2,2,2)
53.46 1.7140 8.3 (0,2,-2)
54.54 1.6826 2.3 (0,3,0)
55.19 1.6644 3.8 (1,3,2)
55.56 1.6539 24.8 (2,3,1)
56.15 1.6381 8.8 (0,3,1)
57.69 1.5980 3.8 (2,3,2)
59.20 1.5607 7.8 (1,3,-1)
59.34 1.5574 3.4 (0,3,-1)
59.79 1.5467 5.7 (2,3,0)
63.86 1.4577 4.9 (0,3,2)
65.11 1.4326 1.6 (3,2,2)
68.37 1.3721 11.2 (1,4,1)
69.67 1.3497 7.4 (2,3,-1)
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Energy Properties

Formation Energy/atom
-0.44814
eV/atom
Energy/atom
-18.56500
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-18.5650
eV/atom
Volume/atom
18.66
ų
c/a Ratio
1.2602

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0000
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

KVRH
47.078
GPa
GVRH
21.379
GPa
Young's Modulus E
55.705
GPa
Poisson Ratio ν
0.303
Pugh Ratio K/G
2.202
Vickers Hardness Est.
1.764
GPa
Ductility
Brittle
Anisotropy
1.162
Lame λ
32.825
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Zn · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.788
Family
Zn-based Alloy
Matrix Element
Zn · 0.667

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
1.1620
Homogeneous Poisson ν
0.3030
Debye Temperature
255.8
K
Sound Velocity
1,721.0
m/s
Homogeneity
0.3030

Related Tasks

Related computation task IDs (5)
aaadmpth aaadsmxu aaaeuosa aaafsrkw aaahbawl

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-657
Reference Citation

The crystal structure and related material properties of YbZn2 were obtained from the Materials Project database (MP-ID: mp-657, 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

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data 
# generated using pymatgen
data_YbZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.37924110
_cell_length_b   5.51859064
_cell_length_c   5.51859064
_cell_angle_alpha   76.80132149
_cell_angle_beta   66.62348408
_cell_angle_gamma   66.62348408
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbZn2
_chemical_formula_sum   'Yb2 Zn4'
_cell_volume   111.97454210
_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
  Yb  Yb0  1  0.52960989  0.72039011  0.22039011  1.0
  Yb  Yb1  1  0.47039011  0.27960989  0.77960989  1.0
  Zn  Zn2  1  0.83393109  0.70857833  0.62355948  1.0
  Zn  Zn3  1  0.16606891  0.29142167  0.37644052  1.0
  Zn  Zn4  1  0.83393109  0.12355948  0.20857833  1.0
  Zn  Zn5  1  0.16606891  0.87644052  0.79142167  1.0
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