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YHo(TmSb2)2

Alexandria ALEX

Alex-ID: agm040459920 · Space group: P2/m (#10)

Alexandria Database API

Basic Information

Formula
YHo(TmSb2)2
Alex-ID
agm040459920
Elements
4
Sites
8
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
234.38
ų
Cell a
7.5496
Å
Cell b
4.3620
Å
Cell c
7.5490
Å
α angle
90.00
°
β angle
109.47
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
YHo(TmSb2)2
Y
1.00 · 12.5%
Ho
1.00 · 12.5%
Tm
2.00 · 25.0%
Sb
4.00 · 50.0%

Energy & Stability

Energy above hull
0.0052
eV/atom
Formation energy
-1.1035
eV/atom
Corrected total energy
-45.3019
eV
Raw total energy
-45.3019
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0031
eV
DOS at Fermi level
1.1207
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC2D4_47_spg10

Decomposition

HoTm3Sb4 Y3HoSb4

Computed at

2024-12-12 10:47:14

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: agm040459920).

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 agm040459920
data_agm040459920
_cell_length_a     7.54956
_cell_length_b     4.36202
_cell_length_c     7.54895
_cell_angle_alpha  90.00000
_cell_angle_beta   109.46803
_cell_angle_gamma  90.00000
_cell_volume       234.38399
_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 0.50000 0.50000 0.50000 1.00000
  Ho1 Ho 0.00000 0.00000 0.50000 1.00000
  Tm1 Tm 0.50000 0.00000 0.00000 1.00000
  Tm2 Tm 0.00000 0.50000 0.00000 1.00000
  Sb1 Sb 0.75189 0.00000 0.75341 1.00000
  Sb2 Sb 0.24811 0.00000 0.24659 1.00000
  Sb3 Sb 0.25017 0.50000 0.75284 1.00000
  Sb4 Sb 0.74983 0.50000 0.24716 1.00000
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