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Ce2Mg2Cd15

Alexandria ALEX

Alex-ID: agm003301385 · Space group: R-3m (#166)

Alexandria Database API

Basic Information

Formula
Ce2Mg2Cd15
Alex-ID
agm003301385
Elements
3
Sites
19
Space group
R-3m (#166)
Crystal system
trigonal
Volume
440.64
ų
Cell a
7.6838
Å
Cell b
7.6838
Å
Cell c
7.6838
Å
α angle
81.69
°
β angle
81.69
°
γ angle
81.69
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce2Mg2Cd15
Ce
2.00 · 10.5%
Mg
2.00 · 10.5%
Cd
15.00 · 78.9%

Energy & Stability

Energy above hull
0.0133
eV/atom
Formation energy
-0.1239
eV/atom
Corrected total energy
-31.2647
eV
Raw total energy
-31.2647
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
19.8898
Total magnetisation
2.2850
μB

Additional Information

Prototype ID

A2B2C15_1_spg166

Decomposition

Ce2Mg5Cd12 CeCd3 CeCd11

Computed at

2022-01-18 01:11:38.773036

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: agm003301385).

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 agm003301385
data_agm003301385
_cell_length_a     7.68380
_cell_length_b     7.68380
_cell_length_c     7.68380
_cell_angle_alpha  81.69495
_cell_angle_beta   81.69495
_cell_angle_gamma  81.69495
_cell_volume       440.63985
_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 0.33422 0.33422 0.33422 1.00000
  Ce2 Ce 0.66578 0.66578 0.66578 1.00000
  Mg1 Mg 0.10170 0.10170 0.10170 1.00000
  Mg2 Mg 0.89830 0.89830 0.89830 1.00000
  Cd1 Cd 0.50000 0.00000 0.00000 1.00000
  Cd2 Cd 0.00000 0.00000 0.50000 1.00000
  Cd3 Cd 0.00000 0.50000 0.00000 1.00000
  Cd4 Cd 0.00000 0.70426 0.29574 1.00000
  Cd5 Cd 0.70426 0.29574 0.00000 1.00000
  Cd6 Cd 0.29574 0.00000 0.70426 1.00000
  Cd7 Cd 0.29574 0.70426 0.00000 1.00000
  Cd8 Cd 0.70426 0.00000 0.29574 1.00000
  Cd9 Cd 0.00000 0.29574 0.70426 1.00000
  Cd10 Cd 0.15703 0.63925 0.63925 1.00000
  Cd11 Cd 0.63925 0.63925 0.15703 1.00000
  Cd12 Cd 0.63925 0.15703 0.63925 1.00000
  Cd13 Cd 0.84297 0.36075 0.36075 1.00000
  Cd14 Cd 0.36075 0.36075 0.84297 1.00000
  Cd15 Cd 0.36075 0.84297 0.36075 1.00000
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