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Ac8La

Alexandria ALEX

Alex-ID: agm003300337 · Space group: I4/mmm (#139)

Basic Information

Formula
Ac8La
Alex-ID
agm003300337
Elements
2
Sites
9
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
399.28
ų
Cell a
5.6259
Å
Cell b
8.8817
Å
Cell c
8.8817
Å
α angle
84.24
°
β angle
71.54
°
γ angle
71.54
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac8La
Ac
8.00 · 88.9%
La
1.00 · 11.1%

Energy & Stability

Energy above hull
0.0176
eV/atom
Formation energy
0.0175
eV/atom
Corrected total energy
-37.6370
eV
Raw total energy
-37.6370
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
19.0279
Total magnetisation
-0.0001
μB

Additional Information

Prototype ID

AB8_0_spg139

Decomposition

AcLa11 Ac

Computed at

2022-01-17 21:55:49.258436

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: agm003300337).

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 agm003300337
data_agm003300337
_cell_length_a     5.62591
_cell_length_b     8.88172
_cell_length_c     8.88172
_cell_angle_alpha  84.24314
_cell_angle_beta   71.53574
_cell_angle_gamma  71.53574
_cell_volume       399.28312
_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 0.33500 0.00000 0.33000 1.00000
  Ac2 Ac 0.66500 1.00000 0.67000 1.00000
  Ac3 Ac 0.66500 0.67000 1.00000 1.00000
  Ac4 Ac 1.00000 0.66843 0.33157 1.00000
  Ac5 Ac 0.33157 0.66843 0.66843 1.00000
  Ac6 Ac 0.66843 0.33157 0.33157 1.00000
  Ac7 Ac 0.00000 0.33157 0.66843 1.00000
  Ac8 Ac 0.33500 0.33000 0.00000 1.00000
  La1 La 0.00000 0.00000 0.00000 1.00000
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