Navigation

HEAS Data Platform · Materials Science Database

Ce3(Ag2Sn)2

Alexandria ALEX

Alex-ID: agm005604358 · Space group: C2/m (#12)

Basic Information

Formula
Ce3(Ag2Sn)2
Alex-ID
agm005604358
Elements
3
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
218.73
ų
Cell a
4.8785
Å
Cell b
6.0343
Å
Cell c
9.2382
Å
α angle
115.82
°
β angle
90.00
°
γ angle
113.84
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce3(Ag2Sn)2
Ce
3.00 · 33.3%
Ag
4.00 · 44.4%
Sn
2.00 · 22.2%

Energy & Stability

Energy above hull
0.0183
eV/atom
Formation energy
-0.3623
eV/atom
Corrected total energy
-40.4734
eV
Raw total energy
-40.4734
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0049
eV
DOS at Fermi level
16.7710
Total magnetisation
2.7828
μB

Additional Information

Prototype ID

A2B3C4_139_spg2

Decomposition

CeAgSn CeAg2

Computed at

2023-06-26 17:19:38.995987

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: agm005604358).

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 agm005604358
data_agm005604358
_cell_length_a     4.87850
_cell_length_b     6.03427
_cell_length_c     9.23816
_cell_angle_alpha  115.82139
_cell_angle_beta   90.00000
_cell_angle_gamma  113.84307
_cell_volume       218.72958
_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 0.66155 0.32310 0.67325 1.00000
  Ce2 Ce 0.00000 0.00000 0.00000 1.00000
  Ce3 Ce 0.33845 0.67690 0.32675 1.00000
  Ag1 Ag 0.70807 0.41614 0.03832 1.00000
  Ag2 Ag 0.29193 0.58386 0.96168 1.00000
  Ag3 Ag 0.92155 0.84311 0.58401 1.00000
  Ag4 Ag 0.07845 0.15689 0.41599 1.00000
  Sn1 Sn 0.61610 0.23221 0.28109 1.00000
  Sn2 Sn 0.38390 0.76779 0.71891 1.00000
Get direct link