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LaHoSb

Alexandria ALEX

Alex-ID: agm005665373 · Space group: P4/nmm (#129)

Alexandria Database API

Basic Information

Formula
LaHoSb
Alex-ID
agm005665373
Elements
3
Sites
6
Space group
P4/nmm (#129)
Crystal system
tetragonal
Volume
186.48
ų
Cell a
4.5899
Å
Cell b
4.5899
Å
Cell c
8.8515
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
LaHoSb
La
2.00 · 33.3%
Ho
2.00 · 33.3%
Sb
2.00 · 33.3%

Energy & Stability

Energy above hull
0.0088
eV/atom
Formation energy
-0.8582
eV/atom
Corrected total energy
-32.4056
eV
Raw total energy
-32.4056
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0005
eV
DOS at Fermi level
6.9902
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

ABC_9911_spg59

Decomposition

La4Sb3 Ho5Sb3 Ho

Computed at

2023-06-18 08:54:35.132009

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: agm005665373).

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 agm005665373
data_agm005665373
_cell_length_a     4.58993
_cell_length_b     4.58993
_cell_length_c     8.85148
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  89.99999
_cell_volume       186.47780
_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
  La1 La 0.75000 0.75000 0.35192 1.00000
  La2 La 0.25000 0.25000 0.64808 1.00000
  Ho1 Ho 0.25000 0.75000 0.00000 1.00000
  Ho2 Ho 0.75000 0.25000 0.00000 1.00000
  Sb1 Sb 0.25000 0.25000 0.26599 1.00000
  Sb2 Sb 0.75000 0.75000 0.73401 1.00000
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