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Ac7(CdOs)2

Alexandria ALEX

Alex-ID: agm005570023 · Space group: Cmmm (#65)

Alexandria Database API

Basic Information

Formula
Ac7(CdOs)2
Alex-ID
agm005570023
Elements
3
Sites
11
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
404.80
ų
Cell a
7.7033
Å
Cell b
7.4532
Å
Cell c
7.4532
Å
α angle
71.08
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac7(CdOs)2
Ac
7.00 · 63.6%
Cd
2.00 · 18.2%
Os
2.00 · 18.2%

Energy & Stability

Energy above hull
0.0910
eV/atom
Formation energy
-0.0669
eV/atom
Corrected total energy
-53.8015
eV
Raw total energy
-53.8015
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
11.6767
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C7_243_spg65

Decomposition

AcCd Ac4CdOs Os

Computed at

2023-06-06 10:15:50.146722

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: agm005570023).

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 agm005570023
data_agm005570023
_cell_length_a     7.70335
_cell_length_b     7.45323
_cell_length_c     7.45323
_cell_angle_alpha  71.07890
_cell_angle_beta   90.00428
_cell_angle_gamma  90.00429
_cell_volume       404.80368
_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 0.24927 0.99985 0.50006 1.00000
  Ac2 Ac 0.75073 0.49994 0.00015 1.00000
  Ac3 Ac 0.75073 0.00015 0.49994 1.00000
  Ac4 Ac 0.24927 0.50006 0.99985 1.00000
  Ac5 Ac 0.00000 0.00000 0.00000 1.00000
  Ac6 Ac 0.76014 0.50007 0.50007 1.00000
  Ac7 Ac 0.23986 0.49993 0.49993 1.00000
  Cd1 Cd 0.50000 0.83447 0.16553 1.00000
  Cd2 Cd 0.50000 0.16553 0.83447 1.00000
  Os1 Os 0.99985 0.70135 0.70135 1.00000
  Os2 Os 0.00015 0.29865 0.29865 1.00000
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