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CeEr(TmBi2)2

Alexandria ALEX

Alex-ID: agm004849941 · Space group: P2/m (#10)

Alexandria Database API

Basic Information

Formula
CeEr(TmBi2)2
Alex-ID
agm004849941
Elements
4
Sites
8
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
254.45
ų
Cell a
4.4871
Å
Cell b
7.7572
Å
Cell c
7.7538
Å
α angle
109.47
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
CeEr(TmBi2)2
Ce
1.00 · 12.5%
Er
1.00 · 12.5%
Tm
2.00 · 25.0%
Bi
4.00 · 50.0%

Energy & Stability

Energy above hull
0.0067
eV/atom
Formation energy
-0.7889
eV/atom
Corrected total energy
-41.2746
eV
Raw total energy
-41.2746
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0011
eV
DOS at Fermi level
6.9360
Total magnetisation
0.8055
μB

Additional Information

Prototype ID

ABC2D4_343_spg10

Decomposition

ErTm3Bi4 Er3TmBi4 CeBi

Computed at

2022-07-13 12:32:21.181097

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: agm004849941).

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 agm004849941
data_agm004849941
_cell_length_a     4.48711
_cell_length_b     7.75720
_cell_length_c     7.75379
_cell_angle_alpha  109.47309
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       254.45145
_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
  Er1 Er 0.50000 0.50000 0.00000 1.00000
  Tm1 Tm 0.50000 0.00000 0.50000 1.00000
  Tm2 Tm 0.00000 0.50000 0.50000 1.00000
  Bi1 Bi 0.50000 0.25641 0.25709 1.00000
  Bi2 Bi 0.50000 0.74359 0.74291 1.00000
  Bi3 Bi 0.00000 0.25242 0.74605 1.00000
  Bi4 Bi 0.00000 0.74758 0.25395 1.00000
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