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La2HoGe2

Alexandria ALEX

Alex-ID: agm003395620 · Space group: C2/m (#12)

Basic Information

Formula
La2HoGe2
Alex-ID
agm003395620
Elements
3
Sites
10
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
280.88
ų
Cell a
4.4911
Å
Cell b
6.7412
Å
Cell c
10.1804
Å
α angle
78.63
°
β angle
77.26
°
γ angle
70.54
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La2HoGe2
La
4.00 · 40.0%
Ho
2.00 · 20.0%
Ge
4.00 · 40.0%

Energy & Stability

Energy above hull
0.0673
eV/atom
Formation energy
-0.7353
eV/atom
Corrected total energy
-54.6888
eV
Raw total energy
-54.6888
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0773
eV
DOS at Fermi level
7.7627
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2_33_spg12

Decomposition

La4Ge3 Ho5Ge3 La

Computed at

2022-02-10 14:42:55.347554

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: agm003395620).

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 agm003395620
data_agm003395620
_cell_length_a     4.49111
_cell_length_b     6.74124
_cell_length_c     10.18041
_cell_angle_alpha  78.63130
_cell_angle_beta   77.25715
_cell_angle_gamma  70.54254
_cell_volume       280.88397
_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 0.32085 0.26821 0.09009 1.00000
  La2 La 0.48510 0.34286 0.68694 1.00000
  La3 La 0.67915 0.73179 0.90991 1.00000
  La4 La 0.51490 0.65714 0.31306 1.00000
  Ho1 Ho 0.77596 0.08115 0.36692 1.00000
  Ho2 Ho 0.22404 0.91885 0.63308 1.00000
  Ge1 Ge 0.98954 0.13226 0.88867 1.00000
  Ge2 Ge 0.11758 0.32407 0.44077 1.00000
  Ge3 Ge 0.01046 0.86774 0.11133 1.00000
  Ge4 Ge 0.88242 0.67593 0.55923 1.00000
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