TiCd

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-30500 · Space group: P4/nmm (#129)

Materials Project API

Basic Information

Formula

TiCd

MP-ID

mp-30500

Elements

Sites

Density

7.0795

g/cm³

Volume

75.19

Å³

Cell a

2.8881

Cell b

2.8881

Cell c

9.0142

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P4/nmm

Point Group

4/mmm

Crystal System

Tetragonal

Bravais Lattice

Stability

Yes

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 20)

2θ	d (Å)	I	hkl
9.81	9.0142	30.8	(0,0,1)
29.73	3.0047	8.8	(0,0,3)
32.56	2.7504	16.8	(1,0,1)
36.97	2.4317	100.0	(1,0,2)
40.01	2.2536	18.7	(0,0,4)
43.46	2.0822	1.7	(1,0,3)
44.36	2.0422	29.8	(1,1,0)
45.54	1.9917	3.5	(1,1,1)
54.31	1.6890	6.3	(1,1,3)
60.54	1.5293	6.6	(1,0,5)
61.25	1.5133	19.8	(1,1,4)
64.53	1.4441	9.1	(2,0,0)
65.46	1.4259	1.2	(2,0,1)
70.68	1.3328	11.4	(1,0,6)
72.64	1.3015	2.6	(2,0,3)
73.55	1.2877	1.2	(0,0,7)
74.17	1.2785	3.1	(2,1,1)
76.76	1.2416	21.1	(2,1,2)
78.70	1.2159	9.3	(2,0,4)
86.34	1.1268	1.4	(0,0,8)

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Energy Properties

Formation Energy/atom

-0.07227

eV/atom

Energy/atom

-16.59365

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-16.5936

eV/atom

Volume/atom

18.80

Å³

c/a Ratio

3.1212

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

81.552

GPa

G_VRH

26.541

GPa

Young's Modulus E

71.831

GPa

Poisson Ratio ν

0.353

Pugh Ratio K/G

3.073

Vickers Hardness Est.

0.661

GPa

Ductility

Brittle

Anisotropy

11.292

Lame λ

63.858

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ti · 0.500

Element Family

N/A

Solute Fraction

0.500

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.709

Family

Ti-based Alloy

Matrix Element

Ti · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

11.2920

Homogeneous Poisson ν

0.3530

Debye Temperature

243.8

Sound Velocity

2,177.9

m/s

Homogeneity

0.3530

Related Tasks

Related computation task IDs (5)

aaadmpvq aaadsylw aaaehbes aaaeupey aaafjkkw

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30500

Reference Citation

The crystal structure and related material properties of TiCd were obtained from the Materials Project database (MP-ID: mp-30500, 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…

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Raw CIF Data

# generated using pymatgen
data_TiCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88810108
_cell_length_b   2.88810108
_cell_length_c   9.01418209
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCd
_chemical_formula_sum   'Ti2 Cd2'
_cell_volume   75.18844526
_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
  Ti  Ti0  1  0.75000000  0.75000000  0.39127329  1.0
  Ti  Ti1  1  0.25000000  0.25000000  0.60872671  1.0
  Cd  Cd2  1  0.75000000  0.75000000  0.86667112  1.0
  Cd  Cd3  1  0.25000000  0.25000000  0.13332888  1.0

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