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AcMgAl2Zn

Alexandria ALEX

Alex-ID: agm077628933 · Space group: Imm2 (#44)

Basic Information

Formula
AcMgAl2Zn
Alex-ID
agm077628933
Elements
4
Sites
5
Space group
Imm2 (#44)
Crystal system
orthorhombic
Volume
115.59
ų
Cell a
6.5659
Å
Cell b
6.5659
Å
Cell c
6.5659
Å
α angle
140.41
°
β angle
139.73
°
γ angle
57.75
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
AcMgAl2Zn
Ac
1.00 · 20.0%
Mg
1.00 · 20.0%
Al
2.00 · 40.0%
Zn
1.00 · 20.0%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.3263
eV/atom
Corrected total energy
-16.1040
eV
Raw total energy
-16.1040
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.1932
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABCD2_37_spg107

Decomposition

AcMgAl2Zn

Computed at

2025-01-09 17:49:17

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: agm077628933).

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 agm077628933
data_agm077628933
_cell_length_a     6.56592
_cell_length_b     6.56592
_cell_length_c     6.56592
_cell_angle_alpha  140.41204
_cell_angle_beta   139.72507
_cell_angle_gamma  57.75109
_cell_volume       115.59193
_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 0.51905 0.51905 0.00000 1.00000
  Mg1 Mg 0.26808 0.76808 0.50000 1.00000
  Al1 Al 0.91058 0.91058 0.00000 1.00000
  Al2 Al 0.76824 0.26824 0.50000 1.00000
  Zn1 Zn 0.13431 0.13431 0.00000 1.00000
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