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Ce2ZnGa2Co5

Alexandria ALEX

Alex-ID: agm005140673 · Space group: P4/mbm (#127)

Alexandria Database API

Basic Information

Formula
Ce2ZnGa2Co5
Alex-ID
agm005140673
Elements
4
Sites
20
Space group
P4/mbm (#127)
Crystal system
tetragonal
Volume
305.56
ų
Cell a
3.4492
Å
Cell b
9.4121
Å
Cell c
9.4121
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce2ZnGa2Co5
Ce
4.00 · 20.0%
Zn
2.00 · 10.0%
Ga
4.00 · 20.0%
Co
10.00 · 50.0%

Energy & Stability

Energy above hull
0.2492
eV/atom
Formation energy
-0.1062
eV/atom
Corrected total energy
-111.7703
eV
Raw total energy
-111.7703
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
6.6986
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2D5_48_spg127

Decomposition

Ce2Ga3Co4 CeGaCo CeZn2Co Co

Computed at

2022-07-14 18:27:38.897773

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: agm005140673).

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 agm005140673
data_agm005140673
_cell_length_a     3.44924
_cell_length_b     9.41213
_cell_length_c     9.41213
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       305.56174
_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 0.67824 0.17824 1.00000
  Ce2 Ce 0.00000 0.32176 0.82176 1.00000
  Ce3 Ce 0.00000 0.17824 0.32176 1.00000
  Ce4 Ce 0.00000 0.82176 0.67824 1.00000
  Zn1 Zn 0.00000 0.00000 0.00000 1.00000
  Zn2 Zn 0.00000 0.50000 0.50000 1.00000
  Ga1 Ga 0.00000 0.11939 0.61939 1.00000
  Ga2 Ga 0.00000 0.88061 0.38061 1.00000
  Ga3 Ga 0.00000 0.61939 0.88061 1.00000
  Ga4 Ga 0.00000 0.38061 0.11939 1.00000
  Co1 Co 0.50000 0.20662 0.06712 1.00000
  Co2 Co 0.50000 0.79338 0.93288 1.00000
  Co3 Co 0.50000 0.06712 0.79338 1.00000
  Co4 Co 0.50000 0.70662 0.43288 1.00000
  Co5 Co 0.50000 0.93288 0.20662 1.00000
  Co6 Co 0.50000 0.29338 0.56712 1.00000
  Co7 Co 0.50000 0.56712 0.70662 1.00000
  Co8 Co 0.50000 0.43288 0.29338 1.00000
  Co9 Co 0.50000 0.50000 0.00000 1.00000
  Co10 Co 0.50000 0.00000 0.50000 1.00000
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