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Ac7CdSn4

Alexandria ALEX

Alex-ID: agm003665591 · Space group: C2/m (#12)

Basic Information

Formula
Ac7CdSn4
Alex-ID
agm003665591
Elements
3
Sites
12
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
474.80
ų
Cell a
6.0449
Å
Cell b
10.0633
Å
Cell c
8.7767
Å
α angle
77.97
°
β angle
69.86
°
γ angle
72.52
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac7CdSn4
Ac
7.00 · 58.3%
Cd
1.00 · 8.3%
Sn
4.00 · 33.3%

Energy & Stability

Energy above hull
0.2479
eV/atom
Formation energy
-0.3442
eV/atom
Corrected total energy
-49.8246
eV
Raw total energy
-49.8246
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
11.3388
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C7_87_spg12

Decomposition

Ac5Sn3 AcCd Ac4Sn3

Computed at

2022-04-08 17:58:01.105116

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: agm003665591).

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 agm003665591
data_agm003665591
_cell_length_a     6.04488
_cell_length_b     10.06325
_cell_length_c     8.77668
_cell_angle_alpha  77.97076
_cell_angle_beta   69.85657
_cell_angle_gamma  72.52173
_cell_volume       474.80032
_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 0.79430 0.86681 0.54459 1.00000
  Ac2 Ac 0.20570 0.13319 0.45541 1.00000
  Ac3 Ac 0.07697 0.67402 0.17203 1.00000
  Ac4 Ac 0.92303 0.32598 0.82797 1.00000
  Ac5 Ac 0.34808 0.57251 0.73132 1.00000
  Ac6 Ac 0.50000 0.00000 0.00000 1.00000
  Ac7 Ac 0.65192 0.42749 0.26868 1.00000
  Cd1 Cd 0.00000 0.00000 0.00000 1.00000
  Sn1 Sn 0.57743 0.21847 0.62668 1.00000
  Sn2 Sn 0.42257 0.78153 0.37332 1.00000
  Sn3 Sn 0.71484 0.66397 0.90635 1.00000
  Sn4 Sn 0.28516 0.33603 0.09365 1.00000
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