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YHo2TmSb4

Alexandria ALEX

Alex-ID: agm025974972 · Space group: I-4m2 (#119)

Basic Information

Formula
YHo2TmSb4
Alex-ID
agm025974972
Elements
4
Sites
8
Space group
I-4m2 (#119)
Crystal system
tetragonal
Volume
235.55
ų
Cell a
7.5655
Å
Cell b
7.5655
Å
Cell c
7.5655
Å
α angle
131.83
°
β angle
131.83
°
γ angle
70.49
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
YHo2TmSb4
Y
1.00 · 12.5%
Ho
2.00 · 25.0%
Tm
1.00 · 12.5%
Sb
4.00 · 50.0%

Energy & Stability

Energy above hull
0.0063
eV/atom
Formation energy
-1.1140
eV/atom
Corrected total energy
-45.4928
eV
Raw total energy
-45.4928
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0019
eV
DOS at Fermi level
1.5016
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC2D4_934_spg1

Decomposition

YHo3Sb4 HoTm3Sb4 Y3HoSb4

Computed at

2025-01-19 13:27:44

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: agm025974972).

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 agm025974972
data_agm025974972
_cell_length_a     7.56550
_cell_length_b     7.56550
_cell_length_c     7.56550
_cell_angle_alpha  131.83409
_cell_angle_beta   131.83409
_cell_angle_gamma  70.49119
_cell_volume       235.54510
_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 0.75000 0.25000 0.50000 1.00000
  Ho1 Ho 0.50000 0.50000 0.00000 1.00000
  Ho2 Ho 0.25000 0.75000 0.50000 1.00000
  Tm1 Tm 0.00000 0.00000 0.00000 1.00000
  Sb1 Sb 0.24916 0.24916 0.00000 1.00000
  Sb2 Sb 0.75084 0.75084 0.00000 1.00000
  Sb3 Sb 0.00070 0.50070 0.50000 1.00000
  Sb4 Sb 0.49930 0.99930 0.50000 1.00000
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