Navigation

HEAS Data Platform · Materials Science Database

Tb2Ho7Tm2

Alexandria ALEX

Alex-ID: agm005568614 · Space group: C2/m (#12)

Basic Information

Formula
Tb2Ho7Tm2
Alex-ID
agm005568614
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
345.73
ų
Cell a
5.9798
Å
Cell b
11.0410
Å
Cell c
7.9329
Å
α angle
45.90
°
β angle
105.91
°
γ angle
113.19
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb2Ho7Tm2
Tb
2.00 · 18.2%
Ho
7.00 · 63.6%
Tm
2.00 · 18.2%

Energy & Stability

Energy above hull
0.1718
eV/atom
Formation energy
0.1666
eV/atom
Corrected total energy
-48.4245
eV
Raw total energy
-48.4245
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
16.6874
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C7_242_spg12

Decomposition

Tb2Ho7 HoTm5 Tb2Ho

Computed at

2023-06-05 03:14:09.953796

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: agm005568614).

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 agm005568614
data_agm005568614
_cell_length_a     5.97984
_cell_length_b     11.04096
_cell_length_c     7.93293
_cell_angle_alpha  45.90146
_cell_angle_beta   105.90705
_cell_angle_gamma  113.19423
_cell_volume       345.73223
_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 0.50000 0.78395 0.43211 1.00000
  Tb2 Tb 0.50000 0.21605 0.56789 1.00000
  Ho1 Ho 0.82572 0.58980 0.47227 1.00000
  Ho2 Ho 0.17428 0.93793 0.47227 1.00000
  Ho3 Ho 0.17428 0.41020 0.52773 1.00000
  Ho4 Ho 0.82572 0.06207 0.52773 1.00000
  Ho5 Ho 0.00000 0.00000 0.00000 1.00000
  Ho6 Ho 0.41485 0.76743 1.00000 1.00000
  Ho7 Ho 0.58515 0.23257 0.00000 1.00000
  Tm1 Tm 0.19587 0.41030 1.00000 1.00000
  Tm2 Tm 0.80413 0.58970 0.00000 1.00000
Get direct link