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Ac8CdSn4

Alexandria ALEX

Alex-ID: agm097813166 · Space group: Pm (#6)

Basic Information

Formula
Ac8CdSn4
Alex-ID
agm097813166
Elements
3
Sites
13
Space group
Pm (#6)
Crystal system
monoclinic
Volume
494.85
ų
Cell a
4.9682
Å
Cell b
10.9184
Å
Cell c
10.2558
Å
α angle
117.19
°
β angle
89.99
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac8CdSn4
Ac
8.00 · 61.5%
Cd
1.00 · 7.7%
Sn
4.00 · 30.8%

Energy & Stability

Energy above hull
0.1231
eV/atom
Formation energy
-0.4251
eV/atom
Corrected total energy
-55.3283
eV
Raw total energy
-55.3283
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0427
eV
DOS at Fermi level
14.8807
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_1674_spg1

Decomposition

Ac5Sn3 AcCd Ac

Computed at

2025-06-12 13:20:06

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: agm097813166).

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 agm097813166
data_agm097813166
_cell_length_a     4.96823
_cell_length_b     10.91842
_cell_length_c     10.25581
_cell_angle_alpha  117.19022
_cell_angle_beta   89.99271
_cell_angle_gamma  90.00397
_cell_volume       494.85138
_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 0.80760 0.15960 0.29329 1.00000
  Ac2 Ac 0.80779 0.21846 0.88520 1.00000
  Ac3 Ac 0.80768 0.65206 0.27486 1.00000
  Ac4 Ac 0.80795 0.59536 0.86617 1.00000
  Ac5 Ac 0.30755 0.41040 0.28581 1.00000
  Ac6 Ac 0.30766 0.27266 0.60340 1.00000
  Ac7 Ac 0.30768 0.87335 0.18936 1.00000
  Ac8 Ac 0.30763 0.82132 0.64034 1.00000
  Cd1 Cd 0.30778 0.08512 0.00876 1.00000
  Sn1 Sn 0.80775 0.91332 0.92643 1.00000
  Sn2 Sn 0.80760 0.99433 0.50563 1.00000
  Sn3 Sn 0.30792 0.48216 0.99600 1.00000
  Sn4 Sn 0.80741 0.52186 0.52473 1.00000
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