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Ho(In3Ru2)2

Alexandria ALEX

Alex-ID: agm002236136 · Space group: I-42m (#121)

Basic Information

Formula
Ho(In3Ru2)2
Alex-ID
agm002236136
Elements
3
Sites
11
Space group
I-42m (#121)
Crystal system
tetragonal
Volume
241.51
ų
Cell a
6.8847
Å
Cell b
6.8847
Å
Cell c
7.0466
Å
α angle
119.24
°
β angle
119.24
°
γ angle
89.98
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho(In3Ru2)2
Ru
4.00 · 36.4%
Ho
1.00 · 9.1%
In
6.00 · 54.5%

Energy & Stability

Energy above hull
0.2246
eV/atom
Formation energy
0.0391
eV/atom
Corrected total energy
-57.8692
eV
Raw total energy
-57.8692
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.5438
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C6_23_spg121

Decomposition

Ho10In20Ru9 In3Ru Ru

Computed at

2018-07-16 03:29:57

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: agm002236136).

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 agm002236136
data_agm002236136
_cell_length_a     6.88466
_cell_length_b     6.88466
_cell_length_c     7.04665
_cell_angle_alpha  119.24339
_cell_angle_beta   119.24339
_cell_angle_gamma  89.98082
_cell_volume       241.51164
_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
  Ru1 Ru 0.58876 0.27036 0.85878 1.00000
  Ru2 Ru 0.41168 0.41168 0.14163 1.00000
  Ru3 Ru 0.27036 0.58876 0.85878 1.00000
  Ru4 Ru 0.72944 0.72944 0.14274 1.00000
  Ho1 Ho 0.00003 0.00003 0.99849 1.00000
  In1 In 0.53236 0.90179 0.43513 1.00000
  In2 In 0.90179 0.53236 0.43513 1.00000
  In3 In 0.09822 0.09822 0.56458 1.00000
  In4 In 0.50064 0.99998 0.99996 1.00000
  In5 In 0.46657 0.46657 0.56473 1.00000
  In6 In 0.99998 0.50064 0.99996 1.00000
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