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Ce6CoNi8

Alexandria ALEX

Alex-ID: agm072851699 · Space group: P1 (#1)

Basic Information

Formula
Ce6CoNi8
Alex-ID
agm072851699
Elements
3
Sites
15
Space group
P1 (#1)
Crystal system
triclinic
Volume
271.59
ų
Cell a
5.3666
Å
Cell b
5.3381
Å
Cell c
9.8339
Å
α angle
89.30
°
β angle
76.81
°
γ angle
82.05
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce6CoNi8
Ce
6.00 · 40.0%
Co
1.00 · 6.7%
Ni
8.00 · 53.3%

Energy & Stability

Energy above hull
0.0767
eV/atom
Formation energy
-0.3003
eV/atom
Corrected total energy
-93.5030
eV
Raw total energy
-93.5030
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
22.7753
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB6C8_619_spg2

Decomposition

Ce2Co3Ni CeNi3 CeNi

Computed at

2024-10-06 05:55:44.251516

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: agm072851699).

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 agm072851699
data_agm072851699
_cell_length_a     5.36657
_cell_length_b     5.33808
_cell_length_c     9.83385
_cell_angle_alpha  89.30273
_cell_angle_beta   76.81189
_cell_angle_gamma  82.04500
_cell_volume       271.58809
_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 0.19116 0.53142 0.11811 1.00000
  Ce2 Ce 0.57812 0.92728 0.17803 1.00000
  Ce3 Ce 0.24693 0.76299 0.50831 1.00000
  Ce4 Ce 0.84415 0.50747 0.86404 1.00000
  Ce5 Ce 0.36698 0.01399 0.85603 1.00000
  Ce6 Ce 0.74076 0.23857 0.49839 1.00000
  Co1 Co 0.96398 0.04899 0.01498 1.00000
  Ni1 Ni 0.07076 0.04286 0.24384 1.00000
  Ni2 Ni 0.88296 0.99876 0.78035 1.00000
  Ni3 Ni 0.37986 0.50484 0.77258 1.00000
  Ni4 Ni 0.30001 0.32432 0.36627 1.00000
  Ni5 Ni 0.84222 0.69590 0.36779 1.00000
  Ni6 Ni 0.70836 0.40379 0.18826 1.00000
  Ni7 Ni 0.70770 0.73859 0.62302 1.00000
  Ni8 Ni 0.17606 0.26022 0.62003 1.00000
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