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CeMg2(CdIn)2

Alexandria ALEX

Alex-ID: agm004548945 · Space group: R-3m (#166)

Alexandria Database API

Basic Information

Formula
CeMg2(CdIn)2
Alex-ID
agm004548945
Elements
4
Sites
7
Space group
R-3m (#166)
Crystal system
trigonal
Volume
171.69
ų
Cell a
4.8745
Å
Cell b
4.8745
Å
Cell c
8.8053
Å
α angle
73.93
°
β angle
73.93
°
γ angle
60.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
CeMg2(CdIn)2
Ce
1.00 · 14.3%
Mg
2.00 · 28.6%
Cd
2.00 · 28.6%
In
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0640
eV/atom
Formation energy
-0.1704
eV/atom
Corrected total energy
-17.7021
eV
Raw total energy
-17.7021
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
8.7498
Total magnetisation
0.9733
μB

Additional Information

Prototype ID

AB2C2D2_16_spg166

Decomposition

Ce2MgIn5 CeMgCd2 MgCd CeIn3

Computed at

2022-06-22 07:05:51.981587

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: agm004548945).

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 agm004548945
data_agm004548945
_cell_length_a     4.87455
_cell_length_b     4.87455
_cell_length_c     8.80528
_cell_angle_alpha  73.93088
_cell_angle_beta   73.93088
_cell_angle_gamma  60.00000
_cell_volume       171.68920
_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 0.00000 0.00000 1.00000
  Mg1 Mg 0.13888 0.13888 0.58335 1.00000
  Mg2 Mg 0.86112 0.86112 0.41665 1.00000
  Cd1 Cd 0.56949 0.56949 0.29154 1.00000
  Cd2 Cd 0.43051 0.43051 0.70846 1.00000
  In1 In 0.73458 0.73458 0.79628 1.00000
  In2 In 0.26542 0.26542 0.20372 1.00000
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