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SrCd

Alexandria ALEX

Alex-ID: agm005463577 · Space group: Imm2 (#44)

Basic Information

Formula
SrCd
Alex-ID
agm005463577
Elements
2
Sites
6
Space group
Imm2 (#44)
Crystal system
orthorhombic
Volume
217.62
ų
Cell a
7.8771
Å
Cell b
7.8771
Å
Cell c
7.8771
Å
α angle
145.97
°
β angle
126.35
°
γ angle
65.07
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
SrCd
Sr
3.00 · 50.0%
Cd
3.00 · 50.0%

Energy & Stability

Energy above hull
0.1117
eV/atom
Formation energy
-0.2128
eV/atom
Corrected total energy
-9.1162
eV
Raw total energy
-9.1162
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0533
eV
DOS at Fermi level
5.4254
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB_64_spg8

Decomposition

SrCd

Computed at

2023-03-21 23:56:15.214657

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: agm005463577).

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 agm005463577
data_agm005463577
_cell_length_a     7.87710
_cell_length_b     7.87710
_cell_length_c     7.87710
_cell_angle_alpha  145.97259
_cell_angle_beta   126.35402
_cell_angle_gamma  65.06798
_cell_volume       217.62200
_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 0.50418 0.19314 0.31104 1.00000
  Sr2 Sr 0.01593 0.50000 0.51593 1.00000
  Sr3 Sr 0.11790 0.80686 0.31104 1.00000
  Cd1 Cd 0.51088 0.50000 0.01088 1.00000
  Cd2 Cd 0.64326 0.88330 0.75996 1.00000
  Cd3 Cd 0.87666 0.11670 0.75996 1.00000
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