Navigation

HEAS Data Platform · Materials Science Database

Ac13Cd2

Alexandria ALEX

Alex-ID: agm003285754 · Space group: P-1 (#2)

Basic Information

Formula
Ac13Cd2
Alex-ID
agm003285754
Elements
2
Sites
15
Space group
P-1 (#2)
Crystal system
triclinic
Volume
634.81
ų
Cell a
7.1088
Å
Cell b
9.3762
Å
Cell c
10.4547
Å
α angle
111.13
°
β angle
78.35
°
γ angle
98.11
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac13Cd2
Ac
13.00 · 86.7%
Cd
2.00 · 13.3%

Energy & Stability

Energy above hull
0.0375
eV/atom
Formation energy
-0.0401
eV/atom
Corrected total energy
-55.8581
eV
Raw total energy
-55.8581
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
21.1055
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

A2B13_9_spg2

Decomposition

AcCd Ac

Computed at

2022-01-14 12:12:53

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: agm003285754).

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 agm003285754
data_agm003285754
_cell_length_a     7.10881
_cell_length_b     9.37616
_cell_length_c     10.45471
_cell_angle_alpha  111.13432
_cell_angle_beta   78.35098
_cell_angle_gamma  98.10548
_cell_volume       634.80707
_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 0.74993 0.59519 0.05330 1.00000
  Ac2 Ac 0.25007 0.40481 0.94670 1.00000
  Ac3 Ac 0.00000 0.00000 0.00000 1.00000
  Ac4 Ac 0.28315 0.01077 0.64687 1.00000
  Ac5 Ac 0.71685 0.98923 0.35313 1.00000
  Ac6 Ac 0.04774 0.57887 0.69992 1.00000
  Ac7 Ac 0.95226 0.42113 0.30008 1.00000
  Ac8 Ac 0.46139 0.62853 0.41351 1.00000
  Ac9 Ac 0.53861 0.37147 0.58649 1.00000
  Ac10 Ac 0.52270 0.79428 0.84473 1.00000
  Ac11 Ac 0.47730 0.20572 0.15527 1.00000
  Ac12 Ac 0.78940 0.17781 0.76717 1.00000
  Ac13 Ac 0.21060 0.82219 0.23283 1.00000
  Cd1 Cd 0.87341 0.79404 0.54388 1.00000
  Cd2 Cd 0.12659 0.20596 0.45612 1.00000
Get direct link