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Ho5Tm3

Alexandria ALEX

Alex-ID: agm017463480 · Space group: C2/m (#12)

Basic Information

Formula
Ho5Tm3
Alex-ID
agm017463480
Elements
2
Sites
8
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
243.01
ų
Cell a
11.8706
Å
Cell b
11.8706
Å
Cell c
6.0902
Å
α angle
75.16
°
β angle
104.84
°
γ angle
162.95
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho5Tm3
Ho
5.00 · 62.5%
Tm
3.00 · 37.5%

Energy & Stability

Energy above hull
0.0108
eV/atom
Formation energy
0.0056
eV/atom
Corrected total energy
-36.2620
eV
Raw total energy
-36.2620
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0107
eV
DOS at Fermi level
9.9743
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B5_20_spg8

Decomposition

HoTm2 Ho7Tm2

Computed at

2025-03-05 04:14:30

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: agm017463480).

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 agm017463480
data_agm017463480
_cell_length_a     11.87058
_cell_length_b     11.87058
_cell_length_c     6.09022
_cell_angle_alpha  75.15518
_cell_angle_beta   104.84482
_cell_angle_gamma  162.95155
_cell_volume       243.01104
_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 0.62514 0.37486 0.29024 1.00000
  Ho2 Ho 0.37486 0.62514 0.70976 1.00000
  Ho3 Ho 0.87469 0.12531 0.20938 1.00000
  Ho4 Ho 0.12531 0.87469 0.79062 1.00000
  Ho5 Ho 0.50000 0.50000 0.50000 1.00000
  Tm1 Tm 0.00000 0.00000 0.00000 1.00000
  Tm2 Tm 0.24977 0.75023 0.24993 1.00000
  Tm3 Tm 0.75023 0.24977 0.75007 1.00000
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