TmCu5

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-30600 · Space group: F-43m (#216)

Materials Project API

Basic Information

Formula

TmCu5

MP-ID

mp-30600

Elements

Sites

Density

9.7824

g/cm³

Volume

82.61

Å³

Cell a

4.8886

Cell b

4.8886

Cell c

4.8886

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

F-43m

Point Group

-43m

Crystal System

Cubic

Bravais Lattice

Stability

Yes

Packing Fraction

0.7405

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
22.27	3.9915	5.1	(1,1,1)
22.27	3.9915	15.3	(1,0,0)
25.77	3.4568	20.9	(1,1,0)
36.77	2.4443	61.1	(2,1,1)
36.77	2.4443	30.6	(1,0,-1)
43.41	2.0845	66.7	(2,2,1)
43.41	2.0845	100.0	(2,1,0)
43.41	2.0845	33.3	(1,-1,1)
45.45	1.9958	12.7	(2,2,2)
45.45	1.9958	12.7	(0,0,2)
45.45	1.9958	25.4	(2,0,0)
58.16	1.5861	2.5	(3,1,1)
59.83	1.5459	3.3	(3,2,1)
59.83	1.5459	2.0	(2,1,-1)
59.83	1.5459	2.0	(2,-1,1)
66.22	1.4112	8.0	(3,3,2)
66.22	1.4112	8.0	(1,3,0)
66.22	1.4112	5.3	(1,1,-2)
66.22	1.4112	8.0	(3,0,1)
66.22	1.4112	2.7	(2,-1,-1)
70.82	1.3305	3.6	(3,3,3)
70.82	1.3305	3.7	(3,3,1)
70.82	1.3305	22.2	(3,2,0)
70.82	1.3305	11.1	(2,0,3)

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Energy Properties

Formation Energy/atom

-0.19794

eV/atom

Energy/atom

-15.09044

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-15.0904

eV/atom

Volume/atom

13.77

Å³

c/a Ratio

1.0000

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

109.138

GPa

G_VRH

13.382

GPa

Young's Modulus E

38.570

GPa

Poisson Ratio ν

0.441

Pugh Ratio K/G

8.156

Vickers Hardness Est.

0.000

GPa

Ductility

Brittle

Anisotropy

0.937

Lame λ

100.217

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Cu · 0.833

Element Family

N/A

Solute Fraction

0.167

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.797

Family

Cu-based Alloy

Matrix Element

Cu · 0.833

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.9370

Homogeneous Poisson ν

0.4410

Debye Temperature

190.6

Sound Velocity

1,331.3

m/s

Homogeneity

0.4410

Related Tasks

Related computation task IDs (5)

aaadmmac aaadsznd aaaemrmi aaaeumfq aaafscmj

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30600

Reference Citation

The crystal structure and related material properties of TmCu5 were obtained from the Materials Project database (MP-ID: mp-30600, 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_TmCu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88858885
_cell_length_b   4.88858916
_cell_length_c   4.88858928
_cell_angle_alpha   59.99998550
_cell_angle_beta   59.99998345
_cell_angle_gamma   59.99997189
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmCu5
_chemical_formula_sum   'Tm1 Cu5'
_cell_volume   82.61053076
_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
  Tm  Tm0  1  -0.00000000  0.00000000  -0.00000000  1.0
  Cu  Cu1  1  0.25000000  0.25000000  0.25000000  1.0
  Cu  Cu2  1  0.62407946  0.62407946  0.62407946  1.0
  Cu  Cu3  1  0.62407946  0.62407946  0.12776161  1.0
  Cu  Cu4  1  0.12776161  0.62407946  0.62407946  1.0
  Cu  Cu5  1  0.62407946  0.12776161  0.62407946  1.0

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