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CeEr2TmBi4

Alexandria ALEX

Alex-ID: agm033397541 · Space group: I-4m2 (#119)

Alexandria Database API

Basic Information

Formula
CeEr2TmBi4
Alex-ID
agm033397541
Elements
4
Sites
8
Space group
I-4m2 (#119)
Crystal system
tetragonal
Volume
254.93
ų
Cell a
7.7599
Å
Cell b
7.7599
Å
Cell c
7.7599
Å
α angle
131.73
°
β angle
131.73
°
γ angle
70.65
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
CeEr2TmBi4
Ce
1.00 · 12.5%
Er
2.00 · 25.0%
Tm
1.00 · 12.5%
Bi
4.00 · 50.0%

Energy & Stability

Energy above hull
0.0142
eV/atom
Formation energy
-0.7891
eV/atom
Corrected total energy
-41.3680
eV
Raw total energy
-41.3680
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0045
eV
DOS at Fermi level
7.7892
Total magnetisation
0.7615
μB

Additional Information

Prototype ID

ABC2D4_39_spg82

Decomposition

ErTm3Bi4 Er3TmBi4 CeBi

Computed at

2025-02-06 23:26:13

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: agm033397541).

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 agm033397541
data_agm033397541
_cell_length_a     7.75993
_cell_length_b     7.75993
_cell_length_c     7.75993
_cell_angle_alpha  131.73253
_cell_angle_beta   131.73253
_cell_angle_gamma  70.65180
_cell_volume       254.93164
_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 0.50000 0.00000 1.00000
  Er1 Er 0.25000 0.75000 0.50000 1.00000
  Er2 Er 0.00000 0.00000 0.00000 1.00000
  Tm1 Tm 0.75000 0.25000 0.50000 1.00000
  Bi1 Bi 0.99959 0.49959 0.50000 1.00000
  Bi2 Bi 0.50041 0.00041 0.50000 1.00000
  Bi3 Bi 0.75258 0.75258 0.00000 1.00000
  Bi4 Bi 0.24742 0.24742 0.00000 1.00000
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