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Ce(Er4Sb)2

Alexandria ALEX

Alex-ID: agm003533249 · Space group: C2/m (#12)

Basic Information

Formula
Ce(Er4Sb)2
Alex-ID
agm003533249
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
322.06
ų
Cell a
4.6339
Å
Cell b
8.1364
Å
Cell c
9.4639
Å
α angle
110.74
°
β angle
104.17
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce(Er4Sb)2
Ce
1.00 · 9.1%
Er
8.00 · 72.7%
Sb
2.00 · 18.2%

Energy & Stability

Energy above hull
0.1180
eV/atom
Formation energy
-0.3199
eV/atom
Corrected total energy
-54.2003
eV
Raw total energy
-54.2003
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0011
eV
DOS at Fermi level
14.1698
Total magnetisation
1.6596
μB

Additional Information

Prototype ID

AB2C8_341_spg12

Decomposition

Er5Sb3 CeErSb Er

Computed at

2022-03-17 12:20:13.604517

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: agm003533249).

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 agm003533249
data_agm003533249
_cell_length_a     4.63389
_cell_length_b     8.13644
_cell_length_c     9.46393
_cell_angle_alpha  110.73884
_cell_angle_beta   104.17111
_cell_angle_gamma  90.00000
_cell_volume       322.06450
_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 0.50000 0.00000 0.00000 1.00000
  Er1 Er 0.41041 0.52504 0.82081 1.00000
  Er2 Er 0.68124 0.93311 0.36248 1.00000
  Er3 Er 0.83915 0.75723 0.67830 1.00000
  Er4 Er 0.95687 0.23698 0.91374 1.00000
  Er5 Er 0.16085 0.24277 0.32170 1.00000
  Er6 Er 0.31876 0.06689 0.63752 1.00000
  Er7 Er 0.58959 0.47496 0.17919 1.00000
  Er8 Er 0.04313 0.76302 0.08626 1.00000
  Sb1 Sb 0.79285 0.33151 0.58570 1.00000
  Sb2 Sb 0.20715 0.66849 0.41430 1.00000
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