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Ac4Cd5Ag2

Alexandria ALEX

Alex-ID: agm003366735 · Space group: P2/m (#10)

Basic Information

Formula
Ac4Cd5Ag2
Alex-ID
agm003366735
Elements
3
Sites
11
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
341.04
ų
Cell a
4.1671
Å
Cell b
8.0232
Å
Cell c
10.2285
Å
α angle
94.24
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac4Cd5Ag2
Ac
4.00 · 36.4%
Cd
5.00 · 45.5%
Ag
2.00 · 18.2%

Energy & Stability

Energy above hull
0.0667
eV/atom
Formation energy
-0.2528
eV/atom
Corrected total energy
-29.5353
eV
Raw total energy
-29.5353
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0102
eV
DOS at Fermi level
9.3577
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B4C5_19_spg10

Decomposition

AcCdAg AcCd AcCd2

Computed at

2022-02-04 20:49:20.630392

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: agm003366735).

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 agm003366735
data_agm003366735
_cell_length_a     4.16714
_cell_length_b     8.02317
_cell_length_c     10.22847
_cell_angle_alpha  94.24386
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       341.03802
_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 0.50000 0.74470 0.56146 1.00000
  Ac2 Ac 0.50000 0.17525 0.87263 1.00000
  Ac3 Ac 0.50000 0.25530 0.43854 1.00000
  Ac4 Ac 0.50000 0.82475 0.12737 1.00000
  Cd1 Cd 0.00000 0.55501 0.30086 1.00000
  Cd2 Cd 0.00000 0.19254 0.15512 1.00000
  Cd3 Cd 0.00000 0.50000 0.00000 1.00000
  Cd4 Cd 0.00000 0.80746 0.84488 1.00000
  Cd5 Cd 0.00000 0.44499 0.69914 1.00000
  Ag1 Ag 0.00000 0.06369 0.63560 1.00000
  Ag2 Ag 0.00000 0.93631 0.36440 1.00000
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