Navigation

HEAS Data Platform · Materials Science Database

SrAc8Co5

Alexandria ALEX

Alex-ID: agm006116352 · Space group: C2/m (#12)

Basic Information

Formula
SrAc8Co5
Alex-ID
agm006116352
Elements
3
Sites
14
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
467.38
ų
Cell a
4.2660
Å
Cell b
10.3047
Å
Cell c
11.1660
Å
α angle
103.80
°
β angle
101.01
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
SrAc8Co5
Sr
1.00 · 7.1%
Ac
8.00 · 57.1%
Co
5.00 · 35.7%

Energy & Stability

Energy above hull
0.0503
eV/atom
Formation energy
0.0099
eV/atom
Corrected total energy
-70.0366
eV
Raw total energy
-70.0366
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
10.6325
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

AB5C8_3_spg8

Decomposition

Ac3Co AcCo Sr

Computed at

2023-08-11 03:30:12.933863

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: agm006116352).

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 agm006116352
data_agm006116352
_cell_length_a     4.26603
_cell_length_b     10.30469
_cell_length_c     11.16600
_cell_angle_alpha  103.80044
_cell_angle_beta   101.01275
_cell_angle_gamma  90.00000
_cell_volume       467.37542
_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 0.49997 0.49993 0.99993 1.00000
  Ac1 Ac 0.24346 0.16268 0.48692 1.00000
  Ac2 Ac 0.75651 0.83735 0.51303 1.00000
  Ac3 Ac 0.17564 0.48887 0.35128 1.00000
  Ac4 Ac 0.82436 0.51119 0.64873 1.00000
  Ac5 Ac 0.09548 0.85452 0.19095 1.00000
  Ac6 Ac 0.90449 0.14539 0.80899 1.00000
  Ac7 Ac 0.42767 0.84080 0.85535 1.00000
  Ac8 Ac 0.57236 0.15920 0.14471 1.00000
  Co1 Co 0.29805 0.68708 0.59610 1.00000
  Co2 Co 0.70198 0.31308 0.40397 1.00000
  Co3 Co 0.33278 0.98182 0.66556 1.00000
  Co4 Co 0.66723 0.01807 0.33446 1.00000
  Co5 Co 0.00001 0.00001 0.00002 1.00000
Get direct link