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Ac8In4Co

Alexandria ALEX

Alex-ID: agm097325948 · Space group: Cm (#8)

Basic Information

Formula
Ac8In4Co
Alex-ID
agm097325948
Elements
3
Sites
13
Space group
Cm (#8)
Crystal system
monoclinic
Volume
469.05
ų
Cell a
4.1664
Å
Cell b
10.8430
Å
Cell c
11.7126
Å
α angle
62.43
°
β angle
89.91
°
γ angle
90.02
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac8In4Co
Ac
8.00 · 61.5%
In
4.00 · 30.8%
Co
1.00 · 7.7%

Energy & Stability

Energy above hull
0.1109
eV/atom
Formation energy
-0.1682
eV/atom
Corrected total energy
-53.2563
eV
Raw total energy
-53.2563
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
14.2874
Total magnetisation
0.0005
μB

Additional Information

Prototype ID

AB4C8_1053_spg1

Decomposition

Ac3Co Ac5In3 AcCo

Computed at

2025-06-13 02:48:37

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: agm097325948).

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 agm097325948
data_agm097325948
_cell_length_a     4.16639
_cell_length_b     10.84299
_cell_length_c     11.71258
_cell_angle_alpha  62.43100
_cell_angle_beta   89.90767
_cell_angle_gamma  90.01596
_cell_volume       469.04715
_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 0.27138 0.17996 0.14298 1.00000
  Ac2 Ac 0.27120 0.67717 0.14279 1.00000
  Ac3 Ac 0.27068 0.64194 0.71591 1.00000
  Ac4 Ac 0.27752 0.17268 0.65485 1.00000
  Ac5 Ac 0.76216 0.80625 0.38763 1.00000
  Ac6 Ac 0.77102 0.32151 0.35686 1.00000
  Ac7 Ac 0.77180 0.30826 0.82524 1.00000
  Ac8 Ac 0.77146 0.86660 0.82498 1.00000
  In1 In 0.77182 0.96962 0.06068 1.00000
  In2 In 0.77292 0.49532 0.00943 1.00000
  In3 In 0.25739 0.51577 0.48879 1.00000
  In4 In 0.25874 0.99527 0.48912 1.00000
  Co1 Co 0.27191 0.04965 0.90074 1.00000
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