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Ce2Lu7Co3

Alexandria ALEX

Alex-ID: agm101319232 · Space group: P1 (#1)

Basic Information

Formula
Ce2Lu7Co3
Alex-ID
agm101319232
Elements
3
Sites
12
Space group
P1 (#1)
Crystal system
triclinic
Volume
281.28
ų
Cell a
5.8309
Å
Cell b
5.5960
Å
Cell c
10.1692
Å
α angle
81.47
°
β angle
74.08
°
γ angle
61.85
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce2Lu7Co3
Ce
2.00 · 16.7%
Lu
7.00 · 58.3%
Co
3.00 · 25.0%

Energy & Stability

Energy above hull
0.1074
eV/atom
Formation energy
-0.1023
eV/atom
Corrected total energy
-66.1134
eV
Raw total energy
-66.1134
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0355
eV
DOS at Fermi level
17.0634
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C7_867_spg1

Decomposition

Lu3Co CeLu2Co

Computed at

2025-05-18 16:41:39

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: agm101319232).

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 agm101319232
data_agm101319232
_cell_length_a     5.83094
_cell_length_b     5.59599
_cell_length_c     10.16923
_cell_angle_alpha  81.47061
_cell_angle_beta   74.08273
_cell_angle_gamma  61.84931
_cell_volume       281.28209
_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 0.58863 0.84166 0.03366 1.00000
  Ce2 Ce 0.12048 0.21533 0.96990 1.00000
  Lu1 Lu 0.74618 0.39722 0.53178 1.00000
  Lu2 Lu 0.70152 0.20805 0.24682 1.00000
  Lu3 Lu 0.08884 0.55969 0.21897 1.00000
  Lu4 Lu 0.30564 0.89683 0.37274 1.00000
  Lu5 Lu 0.53829 0.42847 0.87342 1.00000
  Lu6 Lu 0.36051 0.06074 0.65956 1.00000
  Lu7 Lu 0.97843 0.73881 0.70363 1.00000
  Co1 Co 0.00812 0.85281 0.96987 1.00000
  Co2 Co 0.80383 0.87898 0.46285 1.00000
  Co3 Co 0.25953 0.42141 0.45680 1.00000
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