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SrHoGa4

Alexandria ALEX

Alex-ID: agm005782002 · Space group: I-4m2 (#119)

Basic Information

Formula
SrHoGa4
Alex-ID
agm005782002
Elements
3
Sites
6
Space group
I-4m2 (#119)
Crystal system
tetragonal
Volume
138.48
ų
Cell a
4.2741
Å
Cell b
4.2741
Å
Cell c
8.1608
Å
α angle
105.18
°
β angle
105.18
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
SrHoGa4
Sr
1.00 · 16.7%
Ho
1.00 · 16.7%
Ga
4.00 · 66.7%

Energy & Stability

Energy above hull
0.0607
eV/atom
Formation energy
-0.5033
eV/atom
Corrected total energy
-21.4049
eV
Raw total energy
-21.4049
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.7301
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC4_479_spg119

Decomposition

HoGa2 SrGa2

Computed at

2023-07-28 08:39:48.631414

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: agm005782002).

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 agm005782002
data_agm005782002
_cell_length_a     4.27408
_cell_length_b     4.27408
_cell_length_c     8.16084
_cell_angle_alpha  105.18077
_cell_angle_beta   105.18077
_cell_angle_gamma  90.00000
_cell_volume       138.48065
_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
  Sr1 Sr 0.25000 0.75000 0.50000 1.00000
  Ho1 Ho 0.00000 0.00000 0.00000 1.00000
  Ga1 Ga 0.66394 0.16394 0.32787 1.00000
  Ga2 Ga 0.58010 0.58010 0.16020 1.00000
  Ga3 Ga 0.83606 0.33606 0.67213 1.00000
  Ga4 Ga 0.41990 0.41990 0.83980 1.00000
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