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Ac6HoIn5

Alexandria ALEX

Alex-ID: agm006134405 · Space group: Cmmm (#65)

Basic Information

Formula
Ac6HoIn5
Alex-ID
agm006134405
Elements
3
Sites
12
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
422.82
ų
Cell a
5.5222
Å
Cell b
8.9848
Å
Cell c
8.9601
Å
α angle
90.00
°
β angle
108.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac6HoIn5
Ac
6.00 · 50.0%
Ho
1.00 · 8.3%
In
5.00 · 41.7%

Energy & Stability

Energy above hull
0.0725
eV/atom
Formation energy
-0.3033
eV/atom
Corrected total energy
-46.7171
eV
Raw total energy
-46.7171
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0026
eV
DOS at Fermi level
13.8218
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB5C6_47_spg65

Decomposition

Ac4HoIn3 AcIn

Computed at

2023-08-28 11:59:06.114937

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: agm006134405).

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 agm006134405
data_agm006134405
_cell_length_a     5.52224
_cell_length_b     8.98483
_cell_length_c     8.96011
_cell_angle_alpha  89.99755
_cell_angle_beta   107.99511
_cell_angle_gamma  90.00309
_cell_volume       422.82129
_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 0.82666 0.75194 0.65511 1.00000
  Ac2 Ac 0.82666 0.24806 0.65511 1.00000
  Ac3 Ac 0.50000 0.27309 0.00000 1.00000
  Ac4 Ac 0.50000 0.72691 1.00000 1.00000
  Ac5 Ac 0.17334 0.75194 0.34489 1.00000
  Ac6 Ac 0.17334 0.24806 0.34489 1.00000
  Ho1 Ho 0.00000 0.00000 0.00000 1.00000
  In1 In 0.67429 0.50000 0.34445 1.00000
  In2 In 0.35602 1.00000 0.71439 1.00000
  In3 In 0.00000 0.50000 0.00000 1.00000
  In4 In 0.64398 0.00000 0.28561 1.00000
  In5 In 0.32571 0.50000 0.65555 1.00000
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