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Ti2Cd

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-30501 · Space group: I4/mmm (#139)

Basic Information

Formula
Ti2Cd
MP-ID
mp-30501
Elements
2
Sites
3
Density
6.3257
g/cm³
Volume
54.64
ų
Cell a
2.8478
Å
Cell b
2.8478
Å
Cell c
7.0320
Å
α Angle
101.68
°
β Angle
101.68
°
γ Angle
90.00
°
Space Group
I4/mmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
Tetragonal I
Stability
Yes
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
13.14 6.7375 27.7 (0,0,1)
26.46 3.3688 16.0 (0,0,2)
32.13 2.7862 12.5 (1,0,0)
32.13 2.7862 12.5 (0,1,0)
37.39 2.4051 33.3 (1,0,1)
37.39 2.4051 100.0 (0,1,1)
40.15 2.2458 25.6 (0,0,3)
45.02 2.0137 19.5 (1,-1,0)
45.02 2.0137 19.5 (1,1,-1)
46.39 1.9574 1.6 (1,0,2)
46.39 1.9574 1.6 (1,0,-3)
47.10 1.9293 2.7 (1,-1,1)
47.10 1.9293 2.7 (1,1,0)
52.98 1.7284 6.9 (1,-1,2)
52.98 1.7284 2.3 (1,1,-3)
57.81 1.5948 2.5 (1,0,3)
57.81 1.5948 7.5 (0,1,3)
61.89 1.4993 6.5 (1,-1,3)
61.89 1.4993 13.1 (1,1,2)
61.89 1.4993 6.5 (1,1,-4)
65.56 1.4239 11.7 (2,0,-1)
67.20 1.3931 1.4 (2,0,-2)
69.79 1.3475 1.9 (0,0,5)
71.14 1.3252 3.8 (1,0,4)
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Energy Properties

Formation Energy/atom
-0.07813
eV/atom
Energy/atom
-15.40496
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-15.4050
eV/atom
Volume/atom
18.21
ų
c/a Ratio
2.4693

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
89.283
GPa
GVRH
29.006
GPa
Young's Modulus E
78.515
GPa
Poisson Ratio ν
0.353
Pugh Ratio K/G
3.078
Vickers Hardness Est.
0.849
GPa
Ductility
Brittle
Anisotropy
15.476
Lame λ
69.946
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ti · 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
Ti-based Alloy
Matrix Element
Ti · 0.667

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
15.4760
Homogeneous Poisson ν
0.3530
Debye Temperature
272.5
K
Sound Velocity
2,408.7
m/s
Homogeneity
0.3530

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-30501
Reference Citation

The crystal structure and related material properties of Ti2Cd were obtained from the Materials Project database (MP-ID: mp-30501, 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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_Ti2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84776207
_cell_length_b   2.84776178
_cell_length_c   7.03200417
_cell_angle_alpha   101.68235335
_cell_angle_beta   101.68234550
_cell_angle_gamma   90.00001148
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2Cd
_chemical_formula_sum   'Ti2 Cd1'
_cell_volume   54.63961265
_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  0.67738814  0.67738814  0.35477627  1.0
  Ti  Ti1  1  0.32261186  0.32261186  0.64522373  1.0
  Cd  Cd2  1  -0.00000000  -0.00000000  0.00000000  1.0
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