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Tb4Tm3Cu4

Alexandria ALEX

Alex-ID: agm003378298 · Space group: Immm (#71)

Basic Information

Formula
Tb4Tm3Cu4
Alex-ID
agm003378298
Elements
3
Sites
11
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
263.97
ų
Cell a
4.8267
Å
Cell b
7.2642
Å
Cell c
8.7003
Å
α angle
114.67
°
β angle
106.10
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb4Tm3Cu4
Tb
4.00 · 36.4%
Tm
3.00 · 27.3%
Cu
4.00 · 36.4%

Energy & Stability

Energy above hull
0.1412
eV/atom
Formation energy
-0.0410
eV/atom
Corrected total energy
-49.0346
eV
Raw total energy
-49.0346
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
10.4863
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B4C4_73_spg71

Decomposition

TbTm5Cu6 Tb TbCu

Computed at

2022-02-09 02:38:22.505375

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: agm003378298).

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 agm003378298
data_agm003378298
_cell_length_a     4.82673
_cell_length_b     7.26415
_cell_length_c     8.70028
_cell_angle_alpha  114.67476
_cell_angle_beta   106.10445
_cell_angle_gamma  90.00000
_cell_volume       263.96552
_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
  Tb1 Tb 0.32782 0.10659 0.65564 1.00000
  Tb2 Tb 0.67218 0.45095 0.34436 1.00000
  Tb3 Tb 0.67218 0.89341 0.34436 1.00000
  Tb4 Tb 0.32782 0.54905 0.65564 1.00000
  Tm1 Tm 0.10294 0.10294 0.20588 1.00000
  Tm2 Tm 0.89706 0.89706 0.79412 1.00000
  Tm3 Tm 0.00000 0.50000 0.00000 1.00000
  Cu1 Cu 0.19790 0.69790 0.39579 1.00000
  Cu2 Cu 0.80210 0.30210 0.60421 1.00000
  Cu3 Cu 0.50000 0.83283 0.00000 1.00000
  Cu4 Cu 0.50000 0.16717 1.00000 1.00000
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