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Ce2YHoSb4

Alexandria ALEX

Alex-ID: agm031899241 · Space group: P2/m (#10)

Basic Information

Formula
Ce2YHoSb4
Alex-ID
agm031899241
Elements
4
Sites
8
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
247.59
ų
Cell a
7.6833
Å
Cell b
4.4415
Å
Cell c
7.6964
Å
α angle
90.00
°
β angle
109.49
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce2YHoSb4
Ce
2.00 · 25.0%
Y
1.00 · 12.5%
Ho
1.00 · 12.5%
Sb
4.00 · 50.0%

Energy & Stability

Energy above hull
0.0002
eV/atom
Formation energy
-1.0935
eV/atom
Corrected total energy
-48.1467
eV
Raw total energy
-48.1467
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0003
eV
DOS at Fermi level
13.2630
Total magnetisation
1.5602
μB

Additional Information

Prototype ID

ABC2D4_47_spg10

Decomposition

Ce3Y2HoSb6 CeHoSb2

Computed at

2024-12-30 06:44:34

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: agm031899241).

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 agm031899241
data_agm031899241
_cell_length_a     7.68327
_cell_length_b     4.44146
_cell_length_c     7.69641
_cell_angle_alpha  90.00000
_cell_angle_beta   109.49039
_cell_angle_gamma  90.00000
_cell_volume       247.58983
_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
  Ce1 Ce 0.00000 0.00000 0.00000 1.00000
  Ce2 Ce 0.00000 0.50000 0.50000 1.00000
  Y1 Y 0.50000 0.50000 0.00000 1.00000
  Ho1 Ho 0.50000 0.00000 0.50000 1.00000
  Sb1 Sb 0.25629 0.00000 0.75125 1.00000
  Sb2 Sb 0.74371 0.00000 0.24875 1.00000
  Sb3 Sb 0.25693 0.50000 0.25317 1.00000
  Sb4 Sb 0.74307 0.50000 0.74683 1.00000
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