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Gd4CdOs

Alexandria ALEX

Alex-ID: agm077690876 · Space group: F-43m (#216)

Alexandria Database API

Basic Information

Formula
Gd4CdOs
Alex-ID
agm077690876
Elements
3
Sites
24
Space group
F-43m (#216)
Crystal system
cubic
Volume
648.28
ų
Cell a
9.7146
Å
Cell b
9.7146
Å
Cell c
9.7146
Å
α angle
60.00
°
β angle
60.00
°
γ angle
60.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Gd4CdOs
Gd
16.00 · 66.7%
Cd
4.00 · 16.7%
Os
4.00 · 16.7%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.2696
eV/atom
Corrected total energy
-280.3787
eV
Raw total energy
-280.3787
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
24.3429
Total magnetisation
-26.8194
μB

Additional Information

Prototype ID

ABC4_183_spg216

Decomposition

Gd4CdOs

Computed at

2025-01-09 01:52:10

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: agm077690876).

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 agm077690876
data_agm077690876
_cell_length_a     9.71463
_cell_length_b     9.71463
_cell_length_c     9.71463
_cell_angle_alpha  60.00000
_cell_angle_beta   60.00000
_cell_angle_gamma  60.00000
_cell_volume       648.28132
_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
  Gd1 Gd 0.43994 0.43994 0.06006 1.00000
  Gd2 Gd 0.06006 0.06006 0.43994 1.00000
  Gd3 Gd 0.06006 0.43994 0.43994 1.00000
  Gd4 Gd 0.43994 0.06006 0.06006 1.00000
  Gd5 Gd 0.43994 0.06006 0.43994 1.00000
  Gd6 Gd 0.06006 0.43994 0.06006 1.00000
  Gd7 Gd 0.19042 0.80958 0.80958 1.00000
  Gd8 Gd 0.19042 0.80958 0.19042 1.00000
  Gd9 Gd 0.80958 0.19042 0.19042 1.00000
  Gd10 Gd 0.80958 0.19042 0.80958 1.00000
  Gd11 Gd 0.19042 0.19042 0.80958 1.00000
  Gd12 Gd 0.80958 0.80958 0.19042 1.00000
  Gd13 Gd 0.65381 0.65381 0.03857 1.00000
  Gd14 Gd 0.65381 0.03857 0.65381 1.00000
  Gd15 Gd 0.65381 0.65381 0.65381 1.00000
  Gd16 Gd 0.03857 0.65381 0.65381 1.00000
  Cd1 Cd 0.41988 0.41988 0.41988 1.00000
  Cd2 Cd 0.74035 0.41988 0.41988 1.00000
  Cd3 Cd 0.41988 0.41988 0.74035 1.00000
  Cd4 Cd 0.41988 0.74035 0.41988 1.00000
  Os1 Os 0.41542 0.86153 0.86153 1.00000
  Os2 Os 0.86153 0.86153 0.41542 1.00000
  Os3 Os 0.86153 0.41542 0.86153 1.00000
  Os4 Os 0.86153 0.86153 0.86153 1.00000
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