Navigation

HEAS Data Platform · Materials Science Database

Tb7Ho4

Alexandria ALEX

Alex-ID: agm009744005 · Space group: Cmmm (#65)

Basic Information

Formula
Tb7Ho4
Alex-ID
agm009744005
Elements
2
Sites
11
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
345.43
ų
Cell a
19.2088
Å
Cell b
19.2088
Å
Cell c
3.5107
Å
α angle
89.99
°
β angle
89.99
°
γ angle
15.47
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb7Ho4
Tb
7.00 · 63.6%
Ho
4.00 · 36.4%

Energy & Stability

Energy above hull
0.0487
eV/atom
Formation energy
0.0434
eV/atom
Corrected total energy
-50.2627
eV
Raw total energy
-50.2627
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
16.1932
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A4B7_69_spg12

Decomposition

Tb2Ho7 Tb2Ho

Computed at

2024-05-13 03:12:02.160588

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: agm009744005).

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 agm009744005
data_agm009744005
_cell_length_a     19.20882
_cell_length_b     19.20882
_cell_length_c     3.51067
_cell_angle_alpha  89.98934
_cell_angle_beta   89.98934
_cell_angle_gamma  15.46589
_cell_volume       345.42740
_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 0.63780 0.63780 0.50167 1.00000
  Tb2 Tb 0.36220 0.36220 0.49833 1.00000
  Tb3 Tb 0.00000 0.00000 0.00000 1.00000
  Tb4 Tb 0.09173 0.09173 0.00167 1.00000
  Tb5 Tb 0.27360 0.27360 0.49937 1.00000
  Tb6 Tb 0.72640 0.72640 0.50063 1.00000
  Tb7 Tb 0.90827 0.90827 0.99833 1.00000
  Ho1 Ho 0.54580 0.54580 0.50106 1.00000
  Ho2 Ho 0.45420 0.45420 0.49894 1.00000
  Ho3 Ho 0.81446 0.81446 0.99898 1.00000
  Ho4 Ho 0.18554 0.18554 0.00102 1.00000
Get direct link