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GdHo2Tm9

Alexandria ALEX

Alex-ID: agm101683407 · Space group: P6/mmm (#191)

Basic Information

Formula
GdHo2Tm9
Alex-ID
agm101683407
Elements
3
Sites
12
Space group
P6/mmm (#191)
Crystal system
hexagonal
Volume
368.22
ų
Cell a
11.0724
Å
Cell b
11.0724
Å
Cell c
3.4680
Å
α angle
90.00
°
β angle
90.00
°
γ angle
120.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
GdHo2Tm9
Gd
1.00 · 8.3%
Ho
2.00 · 16.7%
Tm
9.00 · 75.0%

Energy & Stability

Energy above hull
0.0614
eV/atom
Formation energy
0.0524
eV/atom
Corrected total energy
-62.8522
eV
Raw total energy
-62.8522
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0032
eV
DOS at Fermi level
19.9070
Total magnetisation
7.6736
μB

Additional Information

Prototype ID

AB2C9_576_spg1

Decomposition

Gd5Tm Gd3Ho HoTm5

Computed at

2025-05-19 17:02:34

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: agm101683407).

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 agm101683407
data_agm101683407
_cell_length_a     11.07245
_cell_length_b     11.07245
_cell_length_c     3.46802
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  119.99799
_cell_volume       368.22077
_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
  Gd1 Gd 0.00000 0.00000 0.50000 1.00000
  Ho1 Ho 0.33334 0.66666 0.50000 1.00000
  Ho2 Ho 0.66666 0.33334 0.50000 1.00000
  Tm1 Tm 0.17787 0.82213 0.00000 1.00000
  Tm2 Tm 0.00000 0.50000 0.50000 1.00000
  Tm3 Tm 0.50000 0.50000 0.50000 1.00000
  Tm4 Tm 0.17777 0.35562 0.00000 1.00000
  Tm5 Tm 0.82213 0.17787 0.00000 1.00000
  Tm6 Tm 0.35562 0.17777 0.00000 1.00000
  Tm7 Tm 0.82223 0.64438 0.00000 1.00000
  Tm8 Tm 0.50000 0.00000 0.50000 1.00000
  Tm9 Tm 0.64438 0.82223 0.00000 1.00000
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