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Ho5Tm

Alexandria ALEX

Alex-ID: agm005545819 · Space group: C2/m (#12)

Basic Information

Formula
Ho5Tm
Alex-ID
agm005545819
Elements
2
Sites
6
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
183.24
ų
Cell a
3.5000
Å
Cell b
7.8685
Å
Cell c
7.0104
Å
α angle
102.89
°
β angle
90.00
°
γ angle
102.85
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho5Tm
Ho
5.00 · 83.3%
Tm
1.00 · 16.7%

Energy & Stability

Energy above hull
0.0238
eV/atom
Formation energy
0.0211
eV/atom
Corrected total energy
-27.2375
eV
Raw total energy
-27.2375
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0180
eV
DOS at Fermi level
7.5381
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB5_2_spg8

Decomposition

Ho7Tm2 Ho

Computed at

2023-05-29 04:50:11.304348

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: agm005545819).

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 agm005545819
data_agm005545819
_cell_length_a     3.50002
_cell_length_b     7.86854
_cell_length_c     7.01045
_cell_angle_alpha  102.89359
_cell_angle_beta   89.99998
_cell_angle_gamma  102.85039
_cell_volume       183.23583
_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
  Ho1 Ho 0.02794 0.05587 0.05538 1.00000
  Ho2 Ho 0.69441 0.38882 0.38884 1.00000
  Ho3 Ho 0.36091 0.72183 0.72230 1.00000
  Ho4 Ho 0.36084 0.72169 0.22187 1.00000
  Ho5 Ho 0.02809 0.05618 0.55602 1.00000
  Tm1 Tm 0.69447 0.38895 0.88893 1.00000
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