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Ac(HoIn2)2

Alexandria ALEX

Alex-ID: agm039367346 · Space group: I4/mmm (#139)

Alexandria Database API

Basic Information

Formula
Ac(HoIn2)2
Alex-ID
agm039367346
Elements
3
Sites
7
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
202.39
ų
Cell a
6.4439
Å
Cell b
6.4439
Å
Cell c
6.4439
Å
α angle
105.32
°
β angle
105.32
°
γ angle
118.15
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac(HoIn2)2
Ac
1.00 · 14.3%
Ho
2.00 · 28.6%
In
4.00 · 57.1%

Energy & Stability

Energy above hull
0.0221
eV/atom
Formation energy
-0.4223
eV/atom
Corrected total energy
-27.3005
eV
Raw total energy
-27.3005
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.0757
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_31_spg87

Decomposition

Ho3In5 Ac3In5 HoIn

Computed at

2025-04-18 02:27:55

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: agm039367346).

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 agm039367346
data_agm039367346
_cell_length_a     6.44391
_cell_length_b     6.44391
_cell_length_c     6.44391
_cell_angle_alpha  105.31544
_cell_angle_beta   105.31544
_cell_angle_gamma  118.14691
_cell_volume       202.38973
_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 0.00000 0.00000 0.00000 1.00000
  Ho1 Ho 0.75000 0.25000 0.50000 1.00000
  Ho2 Ho 0.25000 0.75000 0.50000 1.00000
  In1 In 0.69306 0.69306 0.38612 1.00000
  In2 In 0.30694 0.30694 0.61388 1.00000
  In3 In 0.30694 0.69306 0.00000 1.00000
  In4 In 0.69306 0.30694 0.00000 1.00000
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