Basic Information
Formula
TmCu
MP-ID
mp-985
Elements
2
Sites
2
Density
9.9576
g/cm³
Volume
38.77
ų
Cell a
3.3845
Å
Cell b
3.3845
Å
Cell c
3.3845
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 8)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 26.33 | 3.3845 | 21.5 | (1,0,0) |
| 37.58 | 2.3932 | 100.0 | (1,1,0) |
| 46.47 | 1.9540 | 6.5 | (1,1,1) |
| 54.20 | 1.6922 | 17.2 | (2,0,0) |
| 61.24 | 1.5136 | 9.0 | (2,1,0) |
| 67.83 | 1.3817 | 34.4 | (2,1,1) |
| 80.22 | 1.1966 | 10.7 | (2,2,0) |
| 86.21 | 1.1282 | 4.8 | (3,0,0) |
Energy Properties
Formation Energy/atom
-0.30083
eV/atom
Energy/atom
-23.28475
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-23.2848
eV/atom
Volume/atom
19.38
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
74.896
GPa
GVRH
28.832
GPa
Young's Modulus E
76.659
GPa
Poisson Ratio ν
0.329
Pugh Ratio K/G
2.598
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
0.991
Lame λ
55.675
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Tm · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.624
Family
Binary Alloy
Matrix Element
Tm · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-985
Reference Citation
The crystal structure and related material properties of TmCu were obtained from the Materials Project database (MP-ID: mp-985, 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_TmCu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.38448683
_cell_length_b 3.38448683
_cell_length_c 3.38448683
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TmCu
_chemical_formula_sum 'Tm1 Cu1'
_cell_volume 38.76845425
_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 0.50000000 0.50000000 0.50000000 1.0
Cu Cu1 1 -0.00000000 -0.00000000 -0.00000000 1.0
