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Ac8In4C

Alexandria ALEX

Alex-ID: agm097956697 · Space group: P2 (#3)

Basic Information

Formula
Ac8In4C
Alex-ID
agm097956697
Elements
3
Sites
13
Space group
P2 (#3)
Crystal system
monoclinic
Volume
471.04
ų
Cell a
4.0917
Å
Cell b
9.7686
Å
Cell c
13.2025
Å
α angle
63.21
°
β angle
89.99
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac8In4C
Ac
8.00 · 61.5%
In
4.00 · 30.8%
C
1.00 · 7.7%

Energy & Stability

Energy above hull
0.0673
eV/atom
Formation energy
-0.2121
eV/atom
Corrected total energy
-55.9271
eV
Raw total energy
-55.9271
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0077
eV
DOS at Fermi level
12.5593
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

AB4C8_1386_spg8

Decomposition

Ac5In3 Ac AcC2

Computed at

2025-06-20 21:50:33

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: agm097956697).

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 agm097956697
data_agm097956697
_cell_length_a     4.09169
_cell_length_b     9.76862
_cell_length_c     13.20248
_cell_angle_alpha  63.20515
_cell_angle_beta   89.99284
_cell_angle_gamma  90.00227
_cell_volume       471.04356
_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 0.39046 0.22793 0.00212 1.00000
  Ac2 Ac 0.38545 0.62228 0.18963 1.00000
  Ac3 Ac 0.40699 0.69269 0.80711 1.00000
  Ac4 Ac 0.39027 0.15671 0.61359 1.00000
  Ac5 Ac 0.38606 0.76161 0.42617 1.00000
  Ac6 Ac 0.75190 0.19249 0.30732 1.00000
  Ac7 Ac 0.89589 0.40708 0.71504 1.00000
  Ac8 Ac 0.89560 0.97708 0.90081 1.00000
  In1 In 0.89977 0.93367 0.18603 1.00000
  In2 In 0.90240 0.50052 0.03720 1.00000
  In3 In 0.89922 0.45046 0.42975 1.00000
  In4 In 0.90293 0.88547 0.57721 1.00000
  C1 C 0.39306 0.19201 0.80803 1.00000
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