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Ac7Mg2Ag3

Alexandria ALEX

Alex-ID: agm101558010 · Space group: P1 (#1)

Basic Information

Formula
Ac7Mg2Ag3
Alex-ID
agm101558010
Elements
3
Sites
12
Space group
P1 (#1)
Crystal system
triclinic
Volume
424.96
ų
Cell a
7.1334
Å
Cell b
6.5208
Å
Cell c
11.0047
Å
α angle
87.47
°
β angle
113.85
°
γ angle
113.54
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac7Mg2Ag3
Ac
7.00 · 58.3%
Mg
2.00 · 16.7%
Ag
3.00 · 25.0%

Energy & Stability

Energy above hull
0.1160
eV/atom
Formation energy
-0.0606
eV/atom
Corrected total energy
-41.2297
eV
Raw total energy
-41.2297
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0134
eV
DOS at Fermi level
13.5387
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C7_480_spg2

Decomposition

AcMgAg Ac AcAg

Computed at

2025-05-17 00:37:16

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: agm101558010).

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 agm101558010
data_agm101558010
_cell_length_a     7.13341
_cell_length_b     6.52076
_cell_length_c     11.00466
_cell_angle_alpha  87.46543
_cell_angle_beta   113.85402
_cell_angle_gamma  113.54497
_cell_volume       424.95976
_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 0.18079 0.69955 0.45391 1.00000
  Ac2 Ac 0.37701 0.34470 0.31241 1.00000
  Ac3 Ac 0.73428 0.91245 0.24365 1.00000
  Ac4 Ac 0.11631 0.81541 0.08848 1.00000
  Ac5 Ac 0.60466 0.59081 0.77300 1.00000
  Ac6 Ac 0.83181 0.22613 0.64815 1.00000
  Ac7 Ac 0.31482 0.96732 0.81956 1.00000
  Mg1 Mg 0.69527 0.37866 0.12424 1.00000
  Mg2 Mg 0.27882 0.44708 0.96855 1.00000
  Ag1 Ag 0.87214 0.19496 0.98303 1.00000
  Ag2 Ag 0.18844 0.18180 0.53812 1.00000
  Ag3 Ag 0.80566 0.74113 0.54690 1.00000
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