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Ac8Mg4Cd

Alexandria ALEX

Alex-ID: agm097788024 · Space group: Imm2 (#44)

Basic Information

Formula
Ac8Mg4Cd
Alex-ID
agm097788024
Elements
3
Sites
13
Space group
Imm2 (#44)
Crystal system
orthorhombic
Volume
482.12
ų
Cell a
3.8958
Å
Cell b
12.1989
Å
Cell c
11.7851
Å
α angle
61.11
°
β angle
90.00
°
γ angle
99.20
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac8Mg4Cd
Ac
8.00 · 61.5%
Mg
4.00 · 30.8%
Cd
1.00 · 7.7%

Energy & Stability

Energy above hull
0.1151
eV/atom
Formation energy
0.0143
eV/atom
Corrected total energy
-39.9836
eV
Raw total energy
-39.9836
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0051
eV
DOS at Fermi level
13.0215
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

AB4C8_799_spg65

Decomposition

Ac6MgCd5 AcMg2 Ac

Computed at

2025-06-16 15:56:44

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: agm097788024).

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 agm097788024
data_agm097788024
_cell_length_a     3.89577
_cell_length_b     12.19892
_cell_length_c     11.78513
_cell_angle_alpha  61.10741
_cell_angle_beta   90.00086
_cell_angle_gamma  99.20047
_cell_volume       482.11877
_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
  Ac1 Ac 0.38735 0.15860 0.17989 1.00000
  Ac2 Ac 0.61130 0.60491 0.19754 1.00000
  Ac3 Ac 0.16230 0.71005 0.64488 1.00000
  Ac4 Ac 0.38718 0.15825 0.66192 1.00000
  Ac5 Ac 0.71921 0.82668 0.32637 1.00000
  Ac6 Ac 0.96689 0.31556 0.34239 1.00000
  Ac7 Ac 0.50701 0.39967 0.80004 1.00000
  Ac8 Ac 0.71922 0.82643 0.84695 1.00000
  Mg1 Mg 0.85879 0.10147 0.94943 1.00000
  Mg2 Mg 0.06021 0.50459 0.99563 1.00000
  Mg3 Mg 0.05976 0.50484 0.49957 1.00000
  Mg4 Mg 0.80828 0.99767 0.50120 1.00000
  Cd1 Cd 0.25252 0.89128 0.05420 1.00000
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