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HEAS Data Platform · Materials Science Database

Tb8Co4As

Alexandria ALEX

Alex-ID: agm097715005 · Space group: P1 (#1)

Basic Information

Formula
Tb8Co4As
Alex-ID
agm097715005
Elements
3
Sites
13
Space group
P1 (#1)
Crystal system
triclinic
Volume
305.10
ų
Cell a
3.6704
Å
Cell b
10.2729
Å
Cell c
9.3963
Å
α angle
59.74
°
β angle
92.12
°
γ angle
87.68
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb8Co4As
Tb
8.00 · 61.5%
Co
4.00 · 30.8%
As
1.00 · 7.7%

Energy & Stability

Energy above hull
0.1830
eV/atom
Formation energy
-0.1952
eV/atom
Corrected total energy
-72.7402
eV
Raw total energy
-72.7402
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
10.6690
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_785_spg1

Decomposition

TbCo Tb5Co2 TbAs

Computed at

2025-06-13 00:17:39

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: agm097715005).

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 agm097715005
data_agm097715005
_cell_length_a     3.67042
_cell_length_b     10.27289
_cell_length_c     9.39633
_cell_angle_alpha  59.74248
_cell_angle_beta   92.11585
_cell_angle_gamma  87.67532
_cell_volume       305.10226
_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 0.72420 0.31304 0.01362 1.00000
  Tb2 Tb 0.19511 0.72280 0.28245 1.00000
  Tb3 Tb 0.73229 0.64291 0.65195 1.00000
  Tb4 Tb 0.83721 0.03646 0.68168 1.00000
  Tb5 Tb 0.73067 0.99414 0.35434 1.00000
  Tb6 Tb 0.22988 0.35797 0.30859 1.00000
  Tb7 Tb 0.25343 0.33095 0.68840 1.00000
  Tb8 Tb 0.64733 0.69590 0.97767 1.00000
  Co1 Co 0.73032 0.96855 0.99784 1.00000
  Co2 Co 0.19641 0.52983 0.92985 1.00000
  Co3 Co 0.72806 0.48147 0.44209 1.00000
  Co4 Co 0.26840 0.86033 0.62079 1.00000
  As1 As 0.22670 0.06565 0.05074 1.00000
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