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Sr8Cd4Cl

Alexandria ALEX

Alex-ID: agm097601374 · Space group: Cm (#8)

Basic Information

Formula
Sr8Cd4Cl
Alex-ID
agm097601374
Elements
3
Sites
13
Space group
Cm (#8)
Crystal system
monoclinic
Volume
518.22
ų
Cell a
4.3912
Å
Cell b
10.8367
Å
Cell c
12.7603
Å
α angle
60.94
°
β angle
80.32
°
γ angle
78.45
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr8Cd4Cl
Sr
8.00 · 61.5%
Cd
4.00 · 30.8%
Cl
1.00 · 7.7%

Energy & Stability

Energy above hull
0.0758
eV/atom
Formation energy
-0.4667
eV/atom
Corrected total energy
-24.5314
eV
Raw total energy
-24.5314
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
13.3626
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_1228_spg6

Decomposition

Sr3Cd2 Sr2Cd SrCl2

Computed at

2025-06-13 00:19:46

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: agm097601374).

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 agm097601374
data_agm097601374
_cell_length_a     4.39121
_cell_length_b     10.83666
_cell_length_c     12.76025
_cell_angle_alpha  60.93564
_cell_angle_beta   80.32284
_cell_angle_gamma  78.45395
_cell_volume       518.22335
_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
  Sr1 Sr 0.77191 0.31638 0.97948 1.00000
  Sr2 Sr 0.51264 0.56974 0.25017 1.00000
  Sr3 Sr 0.27559 0.70429 0.60306 1.00000
  Sr4 Sr 0.47293 0.03397 0.86401 1.00000
  Sr5 Sr 0.31954 0.97674 0.23170 1.00000
  Sr6 Sr 0.64789 0.11410 0.43562 1.00000
  Sr7 Sr 0.95836 0.35523 0.57617 1.00000
  Sr8 Sr 0.10938 0.67448 0.94077 1.00000
  Cd1 Cd 0.94157 0.86594 0.09422 1.00000
  Cd2 Cd 0.15843 0.33252 0.19361 1.00000
  Cd3 Cd 0.87487 0.71004 0.39136 1.00000
  Cd4 Cd 0.09290 0.98666 0.67192 1.00000
  Cl1 Cl 0.36399 0.35991 0.76791 1.00000
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