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Ac8Ce4Zn

Alexandria ALEX

Alex-ID: agm098107218 · Space group: Amm2 (#38)

Basic Information

Formula
Ac8Ce4Zn
Alex-ID
agm098107218
Elements
3
Sites
13
Space group
Amm2 (#38)
Crystal system
orthorhombic
Volume
506.64
ų
Cell a
3.8726
Å
Cell b
11.7689
Å
Cell c
12.5777
Å
α angle
62.11
°
β angle
90.01
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac8Ce4Zn
Ac
8.00 · 61.5%
Ce
4.00 · 30.8%
Zn
1.00 · 7.7%

Energy & Stability

Energy above hull
0.1822
eV/atom
Formation energy
0.1442
eV/atom
Corrected total energy
-56.0060
eV
Raw total energy
-56.0060
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0010
eV
DOS at Fermi level
36.2778
Total magnetisation
5.0503
μB

Additional Information

Prototype ID

AB4C8_1756_spg8

Decomposition

Ac4Zn Ac Ce

Computed at

2025-06-22 20:13:15

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: agm098107218).

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 agm098107218
data_agm098107218
_cell_length_a     3.87258
_cell_length_b     11.76888
_cell_length_c     12.57765
_cell_angle_alpha  62.10749
_cell_angle_beta   90.00522
_cell_angle_gamma  89.99995
_cell_volume       506.64375
_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 0.11545 0.13906 0.16379 1.00000
  Ac2 Ac 0.11544 0.69691 0.16402 1.00000
  Ac3 Ac 0.11514 0.65883 0.68265 1.00000
  Ac4 Ac 0.61573 0.18627 0.62734 1.00000
  Ac5 Ac 0.61527 0.80702 0.38589 1.00000
  Ac6 Ac 0.61551 0.35233 0.29515 1.00000
  Ac7 Ac 0.61520 0.33709 0.84206 1.00000
  Ac8 Ac 0.61520 0.82091 0.84234 1.00000
  Ce1 Ce 0.11546 0.05176 0.89674 1.00000
  Ce2 Ce 0.11510 0.50118 0.99772 1.00000
  Ce3 Ce 0.11550 0.48640 0.50271 1.00000
  Ce4 Ce 0.11550 0.01094 0.50252 1.00000
  Zn1 Zn 0.61550 0.95131 0.09706 1.00000
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