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LaHo2In3

Alexandria ALEX

Alex-ID: agm019287702 · Space group: Imma (#74)

Basic Information

Formula
LaHo2In3
Alex-ID
agm019287702
Elements
3
Sites
12
Space group
Imma (#74)
Crystal system
orthorhombic
Volume
332.81
ų
Cell a
9.3591
Å
Cell b
9.3591
Å
Cell c
9.3591
Å
α angle
146.36
°
β angle
132.31
°
γ angle
59.62
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
LaHo2In3
La
2.00 · 16.7%
Ho
4.00 · 33.3%
In
6.00 · 50.0%

Energy & Stability

Energy above hull
0.0122
eV/atom
Formation energy
-0.4538
eV/atom
Corrected total energy
-50.2320
eV
Raw total energy
-50.2320
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0115
eV
DOS at Fermi level
8.0694
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C3_936_spg15

Decomposition

LaHo2In3

Computed at

2025-04-15 06:03:29

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: agm019287702).

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 agm019287702
data_agm019287702
_cell_length_a     9.35911
_cell_length_b     9.35911
_cell_length_c     9.35911
_cell_angle_alpha  146.36394
_cell_angle_beta   132.30820
_cell_angle_gamma  59.62275
_cell_volume       332.80868
_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
  La1 La 0.07720 0.82720 0.25000 1.00000
  La2 La 0.92280 0.17280 0.75000 1.00000
  Ho1 Ho 0.41577 0.16577 0.25000 1.00000
  Ho2 Ho 0.75799 0.50799 0.25000 1.00000
  Ho3 Ho 0.58423 0.83423 0.75000 1.00000
  Ho4 Ho 0.24201 0.49201 0.75000 1.00000
  In1 In 0.18582 0.66122 0.52460 1.00000
  In2 In 0.36337 0.33878 0.02460 1.00000
  In3 In 0.50000 0.00000 0.50000 1.00000
  In4 In 0.81418 0.33878 0.47540 1.00000
  In5 In 0.00000 0.00000 0.00000 1.00000
  In6 In 0.63663 0.66122 0.97540 1.00000
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