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Y5HoTm5

Alexandria ALEX

Alex-ID: agm003672968 · Space group: Immm (#71)

Basic Information

Formula
Y5HoTm5
Alex-ID
agm003672968
Elements
3
Sites
11
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
354.07
ų
Cell a
5.8723
Å
Cell b
9.8402
Å
Cell c
6.9003
Å
α angle
110.48
°
β angle
90.00
°
γ angle
107.36
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Y5HoTm5
Y
5.00 · 45.5%
Ho
1.00 · 9.1%
Tm
5.00 · 45.5%

Energy & Stability

Energy above hull
0.2979
eV/atom
Formation energy
0.2899
eV/atom
Corrected total energy
-56.0623
eV
Raw total energy
-56.0623
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0006
eV
DOS at Fermi level
17.6911
Total magnetisation
1.0386
μB

Additional Information

Prototype ID

AB5C5_33_spg71

Decomposition

Y5Tm HoTm5 Y5Ho

Computed at

2022-04-09 18:44:25.005694

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: agm003672968).

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 agm003672968
data_agm003672968
_cell_length_a     5.87232
_cell_length_b     9.84021
_cell_length_c     6.90034
_cell_angle_alpha  110.48248
_cell_angle_beta   90.00000
_cell_angle_gamma  107.36057
_cell_volume       354.07222
_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
  Y1 Y 0.82101 0.64203 0.06683 1.00000
  Y2 Y 0.82103 0.64206 0.57491 1.00000
  Y3 Y 0.50000 0.00000 0.00000 1.00000
  Y4 Y 0.17897 0.35794 0.42509 1.00000
  Y5 Y 0.17899 0.35797 0.93317 1.00000
  Ho1 Ho 0.00000 0.00000 0.00000 1.00000
  Tm1 Tm 0.66797 0.33593 0.16817 1.00000
  Tm2 Tm 0.62236 0.24471 0.62261 1.00000
  Tm3 Tm 0.00000 0.00000 0.50000 1.00000
  Tm4 Tm 0.37764 0.75529 0.37739 1.00000
  Tm5 Tm 0.33203 0.66407 0.83183 1.00000
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