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CeHo2ErBi4

Alexandria ALEX

Alex-ID: agm040583190 · Space group: I-4m2 (#119)

Basic Information

Formula
CeHo2ErBi4
Alex-ID
agm040583190
Elements
4
Sites
8
Space group
I-4m2 (#119)
Crystal system
tetragonal
Volume
256.85
ų
Cell a
7.7810
Å
Cell b
7.7810
Å
Cell c
7.7810
Å
α angle
131.75
°
β angle
131.75
°
γ angle
70.62
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
CeHo2ErBi4
Ce
1.00 · 12.5%
Ho
2.00 · 25.0%
Er
1.00 · 12.5%
Bi
4.00 · 50.0%

Energy & Stability

Energy above hull
0.0107
eV/atom
Formation energy
-0.8120
eV/atom
Corrected total energy
-41.6735
eV
Raw total energy
-41.6735
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
6.8551
Total magnetisation
0.7507
μB

Additional Information

Prototype ID

ABC2D4_906_spg1

Decomposition

HoEr3Bi4 Ho3ErBi4 CeBi

Computed at

2025-07-01 18:05:21

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: agm040583190).

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 agm040583190
data_agm040583190
_cell_length_a     7.78096
_cell_length_b     7.78096
_cell_length_c     7.78096
_cell_angle_alpha  131.75325
_cell_angle_beta   131.75325
_cell_angle_gamma  70.61902
_cell_volume       256.85452
_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
  Ho1 Ho 0.75000 0.25000 0.50000 1.00000
  Ho2 Ho 0.50000 0.50000 0.00000 1.00000
  Er1 Er 0.25000 0.75000 0.50000 1.00000
  Bi1 Bi 0.49959 0.99959 0.50000 1.00000
  Bi2 Bi 0.00041 0.50041 0.50000 1.00000
  Bi3 Bi 0.25204 0.25204 0.00000 1.00000
  Bi4 Bi 0.74796 0.74796 0.00000 1.00000
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