Basic Information
Formula
TiZn
MP-ID
mp-1014230
Elements
2
Sites
2
Density
6.1711
g/cm³
Volume
30.48
ų
Cell a
3.1238
Å
Cell b
3.1238
Å
Cell c
3.1238
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cP
Stability
Yes
Packing Fraction
0.5236
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 7)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 28.58 | 3.1238 | 5.2 | (1,0,0) |
| 40.85 | 2.2088 | 100.0 | (1,1,0) |
| 50.61 | 1.8035 | 1.6 | (1,1,1) |
| 59.15 | 1.5619 | 15.5 | (2,0,0) |
| 66.99 | 1.3970 | 2.1 | (2,1,0) |
| 74.39 | 1.2753 | 29.8 | (2,1,1) |
| 88.54 | 1.1044 | 9.4 | (2,2,0) |
Energy Properties
Formation Energy/atom
-0.19293
eV/atom
Energy/atom
-4.77055
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-11.1443
eV/atom
Volume/atom
15.24
ų
c/a Ratio
1.0000
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
110.695
GPa
GVRH
51.570
GPa
Young's Modulus E
133.914
GPa
Poisson Ratio ν
0.298
Pugh Ratio K/G
2.146
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
4.106
Lame λ
76.315
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ti · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.789
Family
Ti-based Alloy
Matrix Element
Ti · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1014230
Reference Citation
The crystal structure and related material properties of TiZn were obtained from the Materials Project database (MP-ID: mp-1014230, 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_TiZn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.12374757
_cell_length_b 3.12374757
_cell_length_c 3.12374757
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiZn
_chemical_formula_sum 'Ti1 Zn1'
_cell_volume 30.48090054
_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
Ti Ti0 1 0.50000000 0.50000000 0.50000000 1.0
Zn Zn1 1 -0.00000000 -0.00000000 -0.00000000 1.0
