Navigation

HEAS Data Platform · Materials Science Database

Er8Al(CdOs)3

Alexandria ALEX

Alex-ID: agm047850751 · Space group: P4/mmm (#123)

Alexandria Database API

Basic Information

Formula
Er8Al(CdOs)3
Alex-ID
agm047850751
Elements
4
Sites
15
Space group
P4/mmm (#123)
Crystal system
tetragonal
Volume
358.34
ų
Cell a
6.8745
Å
Cell b
6.8745
Å
Cell c
7.5824
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Er8Al(CdOs)3
Er
8.00 · 53.3%
Al
1.00 · 6.7%
Cd
3.00 · 20.0%
Os
3.00 · 20.0%

Energy & Stability

Energy above hull
0.0786
eV/atom
Formation energy
-0.2933
eV/atom
Corrected total energy
-81.1075
eV
Raw total energy
-81.1075
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
7.5544
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB3C3D8_30_spg123

Decomposition

Er2CdOs Er5Os2 Er4Cd3Os Er2Al3Os

Computed at

2025-03-02 06:17:37

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: agm047850751).

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 agm047850751
data_agm047850751
_cell_length_a     6.87453
_cell_length_b     6.87453
_cell_length_c     7.58237
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       358.33655
_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
  Er1 Er 0.24238 0.24238 0.27840 1.00000
  Er2 Er 0.75762 0.75762 0.72160 1.00000
  Er3 Er 0.75762 0.24238 0.27840 1.00000
  Er4 Er 0.24238 0.75762 0.72160 1.00000
  Er5 Er 0.24238 0.75762 0.27840 1.00000
  Er6 Er 0.75762 0.24238 0.72160 1.00000
  Er7 Er 0.75762 0.75762 0.27840 1.00000
  Er8 Er 0.24238 0.24238 0.72160 1.00000
  Al1 Al 0.50000 0.50000 0.50000 1.00000
  Cd1 Cd 0.50000 0.00000 0.00000 1.00000
  Cd2 Cd 0.00000 0.50000 0.00000 1.00000
  Cd3 Cd 0.50000 0.50000 0.00000 1.00000
  Os1 Os 0.00000 0.50000 0.50000 1.00000
  Os2 Os 0.50000 0.00000 0.50000 1.00000
  Os3 Os 0.00000 0.00000 0.50000 1.00000
Get direct link