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Tm8Cu4Ge

Alexandria ALEX

Alex-ID: agm097967601 · Space group: Pm (#6)

Basic Information

Formula
Tm8Cu4Ge
Alex-ID
agm097967601
Elements
3
Sites
13
Space group
Pm (#6)
Crystal system
monoclinic
Volume
305.54
ų
Cell a
4.5369
Å
Cell b
8.1782
Å
Cell c
8.7000
Å
α angle
108.83
°
β angle
90.01
°
γ angle
89.99
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tm8Cu4Ge
Tm
8.00 · 61.5%
Cu
4.00 · 30.8%
Ge
1.00 · 7.7%

Energy & Stability

Energy above hull
0.1288
eV/atom
Formation energy
-0.1960
eV/atom
Corrected total energy
-59.5770
eV
Raw total energy
-59.5770
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0222
eV
DOS at Fermi level
12.6747
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_1225_spg6

Decomposition

Tm5Ge3 TmCu Tm

Computed at

2025-06-13 20:23:12

Citation

Alexandria website
https://alexandria.icams.rub.de/
Attribution

The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097967601).

Reference

Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620

BibTeX
@article{Cavignac2026Alexandria,
  author  = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
             and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
             and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
             and Marques, Miguel A. L.},
  title   = {{AI}-Driven expansion and application of the {A}lexandria database},
  journal = {Journal of Physics: Materials},
  year    = {2026},
  volume  = {9},
  number  = {2},
  pages   = {025014},
  doi     = {10.1088/2515-7639/ae6620},
  url     = {https://doi.org/10.1088/2515-7639/ae6620}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# CIF generated by HEAS from Alexandria entry agm097967601
data_agm097967601
_cell_length_a     4.53694
_cell_length_b     8.17816
_cell_length_c     8.69999
_cell_angle_alpha  108.82500
_cell_angle_beta   90.00776
_cell_angle_gamma  89.99306
_cell_volume       305.53542
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
  Tm1 Tm 0.30782 0.08624 0.44312 1.00000
  Tm2 Tm 0.30771 0.22984 0.85842 1.00000
  Tm3 Tm 0.30783 0.57209 0.21010 1.00000
  Tm4 Tm 0.30781 0.73572 0.82015 1.00000
  Tm5 Tm 0.80799 0.28655 0.22541 1.00000
  Tm6 Tm 0.80777 0.42074 0.66436 1.00000
  Tm7 Tm 0.80800 0.84215 0.14304 1.00000
  Tm8 Tm 0.80796 0.74212 0.51039 1.00000
  Cu1 Cu 0.80701 0.97066 0.87939 1.00000
  Cu2 Cu 0.80741 0.08786 0.64872 1.00000
  Cu3 Cu 0.80726 0.48420 0.99997 1.00000
  Cu4 Cu 0.30748 0.48439 0.49598 1.00000
  Ge1 Ge 0.30795 0.05744 0.10095 1.00000
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