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Ho3Tm5

Alexandria ALEX

Alex-ID: agm017607963 · Space group: Pbam (#55)

Basic Information

Formula
Ho3Tm5
Alex-ID
agm017607963
Elements
2
Sites
16
Space group
Pbam (#55)
Crystal system
orthorhombic
Volume
482.76
ų
Cell a
3.5107
Å
Cell b
11.3025
Å
Cell c
12.1662
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho3Tm5
Ho
6.00 · 37.5%
Tm
10.00 · 62.5%

Energy & Stability

Energy above hull
0.0166
eV/atom
Formation energy
0.0088
eV/atom
Corrected total energy
-72.0449
eV
Raw total energy
-72.0449
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0094
eV
DOS at Fermi level
22.6076
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B5_1058_spg55

Decomposition

HoTm2 Ho7Tm2

Computed at

2025-03-05 04:12:02

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: agm017607963).

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 agm017607963
data_agm017607963
_cell_length_a     3.51074
_cell_length_b     11.30253
_cell_length_c     12.16617
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       482.75705
_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 0.50000 0.24967 0.41653 1.00000
  Ho2 Ho 0.50000 0.75033 0.58347 1.00000
  Ho3 Ho 0.50000 0.74967 0.08347 1.00000
  Ho4 Ho 0.50000 0.25033 0.91653 1.00000
  Ho5 Ho 0.00000 0.00000 0.00000 1.00000
  Ho6 Ho 0.00000 0.50000 0.50000 1.00000
  Tm1 Tm 0.00000 0.25019 0.16648 1.00000
  Tm2 Tm 0.00000 0.74981 0.83352 1.00000
  Tm3 Tm 0.00000 0.75019 0.33352 1.00000
  Tm4 Tm 0.00000 0.24981 0.66648 1.00000
  Tm5 Tm 0.50000 0.50010 0.24976 1.00000
  Tm6 Tm 0.50000 0.49990 0.75024 1.00000
  Tm7 Tm 0.50000 0.00010 0.25024 1.00000
  Tm8 Tm 0.50000 0.99990 0.74976 1.00000
  Tm9 Tm 0.00000 0.50000 0.00000 1.00000
  Tm10 Tm 0.00000 0.00000 0.50000 1.00000
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