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Ce7In3Bi

Alexandria ALEX

Alex-ID: agm003583017 · Space group: Immm (#71)

Basic Information

Formula
Ce7In3Bi
Alex-ID
agm003583017
Elements
3
Sites
11
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
343.57
ų
Cell a
6.1058
Å
Cell b
8.2157
Å
Cell c
8.2157
Å
α angle
94.59
°
β angle
111.83
°
γ angle
111.83
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce7In3Bi
Ce
7.00 · 63.6%
In
3.00 · 27.3%
Bi
1.00 · 9.1%

Energy & Stability

Energy above hull
0.1788
eV/atom
Formation energy
-0.1791
eV/atom
Corrected total energy
-55.6969
eV
Raw total energy
-55.6969
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0002
eV
DOS at Fermi level
36.6414
Total magnetisation
7.2748
μB

Additional Information

Prototype ID

AB3C7_9_spg12

Decomposition

Ce2In CeBi

Computed at

2022-04-03 00:05:25.695603

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: agm003583017).

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 agm003583017
data_agm003583017
_cell_length_a     6.10577
_cell_length_b     8.21567
_cell_length_c     8.21567
_cell_angle_alpha  94.58785
_cell_angle_beta   111.82808
_cell_angle_gamma  111.82808
_cell_volume       343.56837
_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 0.14947 0.14926 0.14926 1.00000
  Ce2 Ce 0.35119 0.09293 0.60963 1.00000
  Ce3 Ce 0.64881 0.39037 0.90707 1.00000
  Ce4 Ce 0.35119 0.60963 0.09293 1.00000
  Ce5 Ce 0.00000 0.50000 0.50000 1.00000
  Ce6 Ce 0.64881 0.90707 0.39037 1.00000
  Ce7 Ce 0.85053 0.85074 0.85074 1.00000
  In1 In 0.00000 0.76087 0.23913 1.00000
  In2 In 0.50000 0.00000 0.00000 1.00000
  In3 In 0.00000 0.23913 0.76087 1.00000
  Bi1 Bi 0.50000 0.50000 0.50000 1.00000
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