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CeMn4Ga

Alexandria ALEX

Alex-ID: agm002345346 · Space group: F-43m (#216)

Basic Information

Formula
CeMn4Ga
Alex-ID
agm002345346
Elements
3
Sites
6
Space group
F-43m (#216)
Crystal system
cubic
Volume
89.78
ų
Cell a
5.0266
Å
Cell b
5.0276
Å
Cell c
5.0249
Å
α angle
60.01
°
β angle
60.00
°
γ angle
59.98
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
CeMn4Ga
Mn
4.00 · 66.7%
Ga
1.00 · 16.7%
Ce
1.00 · 16.7%

Energy & Stability

Energy above hull
0.2995
eV/atom
Formation energy
0.1138
eV/atom
Corrected total energy
-44.9586
eV
Raw total energy
-44.9586
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0140
eV
DOS at Fermi level
9.9467
Total magnetisation
8.3210
μB

Additional Information

Prototype ID

ABC4_12_spg216

Decomposition

CeMnGa Mn

Computed at

2019-02-04 15:21:55

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: agm002345346).

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 agm002345346
data_agm002345346
_cell_length_a     5.02660
_cell_length_b     5.02763
_cell_length_c     5.02488
_cell_angle_alpha  60.00505
_cell_angle_beta   59.99907
_cell_angle_gamma  59.97832
_cell_volume       89.78217
_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
  Mn1 Mn 0.12969 0.62327 0.62353 1.00000
  Mn2 Mn 0.62330 0.12973 0.62356 1.00000
  Mn3 Mn 0.62352 0.62342 0.62327 1.00000
  Mn4 Mn 0.62355 0.62348 0.12967 1.00000
  Ga1 Ga 0.24994 0.25015 0.24991 1.00000
  Ce1 Ce 0.00005 0.99996 0.00007 1.00000
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