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MgCd4Ag7

Alexandria ALEX

Alex-ID: agm003665633 · Space group: C2/m (#12)

Basic Information

Formula
MgCd4Ag7
Alex-ID
agm003665633
Elements
3
Sites
12
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
247.53
ų
Cell a
5.1066
Å
Cell b
9.5586
Å
Cell c
5.8490
Å
α angle
83.22
°
β angle
64.12
°
γ angle
74.51
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
MgCd4Ag7
Mg
1.00 · 8.3%
Cd
4.00 · 33.3%
Ag
7.00 · 58.3%

Energy & Stability

Energy above hull
0.1366
eV/atom
Formation energy
0.0471
eV/atom
Corrected total energy
-24.6827
eV
Raw total energy
-24.6827
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.5194
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C7_85_spg12

Decomposition

MgAg3 CdAg

Computed at

2022-04-20 11:18:08.813648

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: agm003665633).

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 agm003665633
data_agm003665633
_cell_length_a     5.10658
_cell_length_b     9.55855
_cell_length_c     5.84901
_cell_angle_alpha  83.22239
_cell_angle_beta   64.11706
_cell_angle_gamma  74.50696
_cell_volume       247.52632
_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
  Mg1 Mg 0.00000 0.00000 0.00000 1.00000
  Cd1 Cd 0.59565 0.22623 0.58248 1.00000
  Cd2 Cd 0.40435 0.77377 0.41752 1.00000
  Cd3 Cd 0.73091 0.68920 0.84899 1.00000
  Cd4 Cd 0.26909 0.31080 0.15101 1.00000
  Ag1 Ag 0.79428 0.91900 0.49244 1.00000
  Ag2 Ag 0.20572 0.08100 0.50756 1.00000
  Ag3 Ag 0.04284 0.62618 0.28814 1.00000
  Ag4 Ag 0.95716 0.37382 0.71186 1.00000
  Ag5 Ag 0.35140 0.52961 0.76759 1.00000
  Ag6 Ag 0.50000 0.00000 0.00000 1.00000
  Ag7 Ag 0.64860 0.47039 0.23241 1.00000
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