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HoTmGa4

Alexandria ALEX

Alex-ID: agm005763232 · Space group: Imm2 (#44)

Basic Information

Formula
HoTmGa4
Alex-ID
agm005763232
Elements
3
Sites
6
Space group
Imm2 (#44)
Crystal system
orthorhombic
Volume
119.90
ų
Cell a
4.2346
Å
Cell b
5.7616
Å
Cell c
5.7616
Å
α angle
73.81
°
β angle
68.44
°
γ angle
68.44
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
HoTmGa4
Ho
1.00 · 16.7%
Tm
1.00 · 16.7%
Ga
4.00 · 66.7%

Energy & Stability

Energy above hull
0.0013
eV/atom
Formation energy
-0.6125
eV/atom
Corrected total energy
-24.8426
eV
Raw total energy
-24.8426
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0507
eV
DOS at Fermi level
3.0487
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC4_1196_spg71

Decomposition

TmGa2 HoGa2

Computed at

2023-07-28 08:21:48.705740

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: agm005763232).

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 agm005763232
data_agm005763232
_cell_length_a     4.23462
_cell_length_b     5.76164
_cell_length_c     5.76164
_cell_angle_alpha  73.81347
_cell_angle_beta   68.43947
_cell_angle_gamma  68.43947
_cell_volume       119.90037
_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 0.55974 0.44026 0.44026 1.00000
  Tm1 Tm 0.43908 0.06092 0.06092 1.00000
  Ga1 Ga 0.16104 0.64060 0.03733 1.00000
  Ga2 Ga 0.83956 0.86091 0.45998 1.00000
  Ga3 Ga 0.83956 0.45998 0.86091 1.00000
  Ga4 Ga 0.16104 0.03733 0.64060 1.00000
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