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Tb4TmZn10

Alexandria ALEX

Alex-ID: agm022425790 · Space group: C2/m (#12)

Basic Information

Formula
Tb4TmZn10
Alex-ID
agm022425790
Elements
3
Sites
15
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
305.16
ų
Cell a
8.3874
Å
Cell b
8.3874
Å
Cell c
5.6822
Å
α angle
71.47
°
β angle
108.53
°
γ angle
125.16
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb4TmZn10
Tb
4.00 · 26.7%
Tm
1.00 · 6.7%
Zn
10.00 · 66.7%

Energy & Stability

Energy above hull
0.0062
eV/atom
Formation energy
-0.3750
eV/atom
Corrected total energy
-41.4084
eV
Raw total energy
-41.4084
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
10.6144
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C10_7_spg87

Decomposition

TbZn2 TmZn2

Computed at

2024-12-04 18:13:23

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: agm022425790).

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 agm022425790
data_agm022425790
_cell_length_a     8.38742
_cell_length_b     8.38742
_cell_length_c     5.68221
_cell_angle_alpha  71.47493
_cell_angle_beta   108.52507
_cell_angle_gamma  125.15876
_cell_volume       305.15655
_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 0.60273 0.39727 0.91166 1.00000
  Tb2 Tb 0.20130 0.79870 0.30755 1.00000
  Tb3 Tb 0.79870 0.20130 0.69245 1.00000
  Tb4 Tb 0.39727 0.60273 0.08834 1.00000
  Tm1 Tm 0.00000 0.00000 0.50000 1.00000
  Zn1 Zn 0.16531 0.16531 0.00000 1.00000
  Zn2 Zn 0.76169 0.57289 0.40527 1.00000
  Zn3 Zn 0.36301 0.97046 0.80262 1.00000
  Zn4 Zn 0.97046 0.36301 0.19738 1.00000
  Zn5 Zn 0.57289 0.76169 0.59473 1.00000
  Zn6 Zn 0.23831 0.42711 0.59473 1.00000
  Zn7 Zn 0.83469 0.83469 0.00000 1.00000
  Zn8 Zn 0.42711 0.23831 0.40527 1.00000
  Zn9 Zn 0.02954 0.63699 0.80262 1.00000
  Zn10 Zn 0.63699 0.02954 0.19738 1.00000
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