TmCd3

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-30502 · Space group: Cmcm (#63)

Materials Project API

Basic Information

Formula

TmCd3

MP-ID

mp-30502

Elements

Sites

Density

9.2537

g/cm³

Volume

181.66

Å³

Cell a

4.8089

Cell b

6.3957

Cell c

6.3957

α Angle

112.56

β Angle

90.00

γ Angle

90.00

Space Group

Cmcm

Point Group

mmm

Crystal System

Orthorhombic

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 24)

2θ	d (Å)	I	hkl
23.86	3.7292	3.2	(1,1,0)
24.96	3.5673	1.2	(1,1,-1)
25.08	3.5507	1.7	(0,1,1)
30.26	2.9532	9.6	(0,2,0)
33.70	2.6598	19.1	(0,2,-2)
33.85	2.6483	16.7	(1,2,-1)
35.68	2.5166	100.0	(1,2,0)
37.40	2.4045	28.1	(2,0,0)
38.69	2.3275	16.8	(1,2,-2)
38.98	2.3106	6.1	(0,2,1)
44.45	2.0383	2.1	(0,3,-2)
48.84	1.8646	4.9	(2,2,0)
51.22	1.7837	11.5	(2,2,-2)
51.47	1.7753	7.7	(0,2,2)
55.13	1.6660	4.4	(2,2,1)
58.03	1.5894	1.8	(1,3,1)
58.15	1.5864	6.4	(0,4,-2)
58.31	1.5825	5.6	(0,4,-1)
59.45	1.5548	1.8	(2,3,-2)
61.56	1.5065	2.3	(1,4,-2)
61.56	1.5065	2.3	(1,2,-4)
62.49	1.4862	1.3	(0,4,-3)
62.94	1.4766	4.2	(0,4,0)
65.21	1.4307	2.4	(3,2,-1)

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Energy Properties

Formation Energy/atom

-0.21851

eV/atom

Energy/atom

-2.05914

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-24.1467

eV/atom

Volume/atom

22.71

Å³

c/a Ratio

1.3300

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

57.293

GPa

G_VRH

29.664

GPa

Young's Modulus E

75.894

GPa

Poisson Ratio ν

0.279

Pugh Ratio K/G

1.931

Vickers Hardness Est.

3.727

GPa

Ductility

Brittle

Anisotropy

0.669

Lame λ

37.517

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Cd · 0.750

Element Family

N/A

Solute Fraction

0.250

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.641

Family

Binary Alloy

Matrix Element

Cd · 0.750

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.6690

Homogeneous Poisson ν

0.2790

Debye Temperature

240.0

Sound Velocity

1,994.7

m/s

Homogeneity

0.2790

Related Tasks

Related computation task IDs (5)

aaadmhzy aaadssdq aaaelhsm aaaeubwg aaafxdht

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30502

Reference Citation

The crystal structure and related material properties of TmCd3 were obtained from the Materials Project database (MP-ID: mp-30502, 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_TmCd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.80889386
_cell_length_b   6.39566580
_cell_length_c   6.39566549
_cell_angle_alpha   112.55520758
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmCd3
_chemical_formula_sum   'Tm2 Cd6'
_cell_volume   181.65964867
_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
  Tm  Tm0  1  0.75000000  0.36814604  0.63185396  1.0
  Tm  Tm1  1  0.25000000  0.63185396  0.36814604  1.0
  Cd  Cd2  1  0.75000000  0.82344305  0.17655695  1.0
  Cd  Cd3  1  0.25000000  0.17655695  0.82344305  1.0
  Cd  Cd4  1  0.75000000  0.31068483  0.11935532  1.0
  Cd  Cd5  1  0.25000000  0.68931517  0.88064468  1.0
  Cd  Cd6  1  0.25000000  0.11935532  0.31068483  1.0
  Cd  Cd7  1  0.75000000  0.88064468  0.68931517  1.0

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