Navigation

HEAS Data Platform · Materials Science Database

Y(Ho5Tm)2

Alexandria ALEX

Alex-ID: agm003385934 · Space group: Fmmm (#69)

Basic Information

Formula
Y(Ho5Tm)2
Alex-ID
agm003385934
Elements
3
Sites
13
Space group
Fmmm (#69)
Crystal system
orthorhombic
Volume
426.27
ų
Cell a
6.5142
Å
Cell b
8.3484
Å
Cell c
9.1147
Å
α angle
81.99
°
β angle
69.06
°
γ angle
67.04
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Y(Ho5Tm)2
Y
1.00 · 7.7%
Ho
10.00 · 76.9%
Tm
2.00 · 15.4%

Energy & Stability

Energy above hull
0.2873
eV/atom
Formation energy
0.2841
eV/atom
Corrected total energy
-57.4976
eV
Raw total energy
-57.4976
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
28.7766
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C10_0_spg69

Decomposition

YHo8 Ho7Tm2 Y5Ho

Computed at

2022-02-16 14:50:46.780402

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: agm003385934).

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 agm003385934
data_agm003385934
_cell_length_a     6.51421
_cell_length_b     8.34835
_cell_length_c     9.11475
_cell_angle_alpha  81.98584
_cell_angle_beta   69.06279
_cell_angle_gamma  67.03621
_cell_volume       426.26902
_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 0.00000 0.00000 0.00000 1.00000
  Ho1 Ho 0.34831 0.63777 0.66560 1.00000
  Ho2 Ho 0.65169 0.36223 0.33440 1.00000
  Ho3 Ho 0.98608 0.36223 0.66560 1.00000
  Ho4 Ho 0.01392 0.63777 0.33440 1.00000
  Ho5 Ho 0.00000 0.00000 0.50000 1.00000
  Ho6 Ho 0.50000 0.00000 0.50000 1.00000
  Ho7 Ho 0.29432 0.20800 0.20335 1.00000
  Ho8 Ho 0.70568 0.79200 0.79665 1.00000
  Ho9 Ho 0.50233 0.79200 0.20335 1.00000
  Ho10 Ho 0.49767 0.20800 0.79665 1.00000
  Tm1 Tm 0.00000 0.50000 0.00000 1.00000
  Tm2 Tm 0.50000 0.50000 0.00000 1.00000
Get direct link