Navigation

HEAS Data Platform · Materials Science Database

Ce(Mg2Ag)4

Alexandria ALEX

Alex-ID: agm097541144 · Space group: Cm (#8)

Basic Information

Formula
Ce(Mg2Ag)4
Alex-ID
agm097541144
Elements
3
Sites
13
Space group
Cm (#8)
Crystal system
monoclinic
Volume
281.55
ų
Cell a
4.8424
Å
Cell b
7.9917
Å
Cell c
7.8524
Å
α angle
102.61
°
β angle
107.85
°
γ angle
89.99
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce(Mg2Ag)4
Ce
1.00 · 7.7%
Mg
8.00 · 61.5%
Ag
4.00 · 30.8%

Energy & Stability

Energy above hull
0.0704
eV/atom
Formation energy
-0.1079
eV/atom
Corrected total energy
-31.4989
eV
Raw total energy
-31.4988
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0058
eV
DOS at Fermi level
11.4439
Total magnetisation
1.0024
μB

Additional Information

Prototype ID

AB4C8_1843_spg8

Decomposition

Mg2Ag Ce

Computed at

2025-06-16 19:34:43

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: agm097541144).

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 agm097541144
data_agm097541144
_cell_length_a     4.84239
_cell_length_b     7.99174
_cell_length_c     7.85243
_cell_angle_alpha  102.60653
_cell_angle_beta   107.85179
_cell_angle_gamma  89.99152
_cell_volume       281.54778
_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 0.34391 0.98089 0.14924 1.00000
  Mg1 Mg 0.03208 0.40338 0.52908 1.00000
  Mg2 Mg 0.18746 0.20505 0.83795 1.00000
  Mg3 Mg 0.42265 0.45149 0.30990 1.00000
  Mg4 Mg 0.67050 0.60067 0.79991 1.00000
  Mg5 Mg 0.80868 0.30582 0.08153 1.00000
  Mg6 Mg 0.56652 0.18850 0.59627 1.00000
  Mg7 Mg 0.88862 0.68962 0.23834 1.00000
  Mg8 Mg 0.11556 0.80189 0.68915 1.00000
  Ag1 Ag 0.70103 0.97840 0.86204 1.00000
  Ag2 Ag 0.99203 0.03184 0.44539 1.00000
  Ag3 Ag 0.26025 0.56329 0.98055 1.00000
  Ag4 Ag 0.51072 0.79917 0.48064 1.00000
Get direct link