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Ce8Bi2Pt

Alexandria ALEX

Alex-ID: agm003527151 · Space group: C2/m (#12)

Basic Information

Formula
Ce8Bi2Pt
Alex-ID
agm003527151
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
293.13
ų
Cell a
5.6359
Å
Cell b
7.0180
Å
Cell c
8.8996
Å
α angle
117.01
°
β angle
108.46
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce8Bi2Pt
Ce
8.00 · 72.7%
Bi
2.00 · 18.2%
Pt
1.00 · 9.1%

Energy & Stability

Energy above hull
0.1038
eV/atom
Formation energy
-0.3894
eV/atom
Corrected total energy
-65.6047
eV
Raw total energy
-65.6047
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0011
eV
DOS at Fermi level
30.4614
Total magnetisation
4.2069
μB

Additional Information

Prototype ID

AB2C8_280_spg71

Decomposition

Ce5Bi3Pt Ce CePt

Computed at

2022-03-14 03:24:40.542279

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: agm003527151).

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 agm003527151
data_agm003527151
_cell_length_a     5.63590
_cell_length_b     7.01795
_cell_length_c     8.89960
_cell_angle_alpha  117.01153
_cell_angle_beta   108.45971
_cell_angle_gamma  90.00000
_cell_volume       293.12866
_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 0.35957 0.56536 0.71914 1.00000
  Ce2 Ce 0.61113 0.79132 0.22227 1.00000
  Ce3 Ce 0.84321 0.82936 0.68642 1.00000
  Ce4 Ce 0.00007 0.24384 0.00013 1.00000
  Ce5 Ce 0.15679 0.17064 0.31358 1.00000
  Ce6 Ce 0.38887 0.20868 0.77773 1.00000
  Ce7 Ce 0.64043 0.43464 0.28086 1.00000
  Ce8 Ce 0.99993 0.75616 0.99987 1.00000
  Bi1 Bi 0.80172 0.27778 0.60345 1.00000
  Bi2 Bi 0.19828 0.72222 0.39655 1.00000
  Pt1 Pt 0.50000 0.00000 0.00000 1.00000
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