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TmCu2

Traditional Materials TRA

MP-ID: mp-1077209 · Space group: Imma (#74)

Basic Information

Formula
TmCu2
MP-ID
mp-1077209
Elements
2
Sites
6
Density
9.7486
g/cm³
Volume
100.85
ų
Cell a
4.2472
Å
Cell b
5.3233
Å
Cell c
5.3233
Å
α Angle
76.75
°
β Angle
66.49
°
γ Angle
66.49
°
Space Group
Imma
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic I
Stability
Yes
Packing Fraction
0.6800

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
24.34 3.6562 12.0 (1,1,1)
24.34 3.6562 12.0 (1,0,0)
24.78 3.5926 7.8 (0,1,1)
26.98 3.3047 4.0 (0,1,-1)
35.43 2.5334 42.0 (1,2,1)
36.66 2.4516 100.0 (1,2,0)
36.96 2.4322 38.0 (0,2,0)
40.04 2.2518 13.8 (0,2,1)
42.57 2.1236 32.9 (2,1,1)
42.94 2.1063 15.2 (0,2,-1)
43.37 2.0862 39.4 (1,2,2)
49.88 1.8281 1.3 (2,2,2)
49.88 1.8281 1.3 (2,0,0)
51.13 1.7865 1.6 (2,2,0)
55.62 1.6523 6.4 (0,2,-2)
56.78 1.6215 5.6 (0,3,0)
57.42 1.6049 4.2 (1,3,2)
57.42 1.6049 4.2 (1,-1,-2)
57.62 1.5997 20.7 (2,3,1)
58.48 1.5782 4.0 (0,3,1)
59.87 1.5449 4.3 (2,3,2)
59.87 1.5449 4.3 (2,0,-1)
61.59 1.5057 10.0 (1,3,-1)
61.80 1.5012 3.7 (0,3,-1)
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Energy Properties

Formation Energy/atom
-0.29412
eV/atom
Energy/atom
-19.23233
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-19.2323
eV/atom
Volume/atom
16.81
ų
c/a Ratio
-

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

Elastic data not available

Feature Analysis

Composition Overview

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

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1077209
Reference Citation

The crystal structure and related material properties of TmCu2 were obtained from the Materials Project database (MP-ID: mp-1077209, 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_TmCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.24723629
_cell_length_b   5.32325083
_cell_length_c   5.32325083
_cell_angle_alpha   76.74879745
_cell_angle_beta   66.48852875
_cell_angle_gamma   66.48852875
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmCu2
_chemical_formula_sum   'Tm2 Cu4'
_cell_volume   100.84790646
_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  0.54719680  0.70280320  0.20280320  1.0
  Tm  Tm1  1  0.45280320  0.29719680  0.79719680  1.0
  Cu  Cu2  1  0.16426027  0.28251267  0.38896580  1.0
  Cu  Cu3  1  0.83573973  0.71748733  0.61103420  1.0
  Cu  Cu4  1  0.83573973  0.11103420  0.21748733  1.0
  Cu  Cu5  1  0.16426027  0.88896580  0.78251267  1.0
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