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La5(NdHo)2

Alexandria ALEX

Alex-ID: agm009657355 · Space group: C2/m (#12)

Alexandria Database API

Basic Information

Formula
La5(NdHo)2
Alex-ID
agm009657355
Elements
3
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
317.23
ų
Cell a
6.3895
Å
Cell b
6.3895
Å
Cell c
11.0187
Å
α angle
72.90
°
β angle
72.90
°
γ angle
48.15
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La5(NdHo)2
La
5.00 · 55.6%
Nd
2.00 · 22.2%
Ho
2.00 · 22.2%

Energy & Stability

Energy above hull
0.0318
eV/atom
Formation energy
0.0242
eV/atom
Corrected total energy
-43.1214
eV
Raw total energy
-43.1214
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
16.0778
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C5_1213_spg2

Decomposition

La2Nd LaHo2

Computed at

2024-05-14 11:33:09.835903

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: agm009657355).

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 agm009657355
data_agm009657355
_cell_length_a     6.38952
_cell_length_b     6.38952
_cell_length_c     11.01870
_cell_angle_alpha  72.89849
_cell_angle_beta   72.89849
_cell_angle_gamma  48.14904
_cell_volume       317.22858
_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 0.33409 0.33409 0.88978 1.00000
  La2 La 0.66591 0.66591 0.11022 1.00000
  La3 La 0.66704 0.66704 0.44599 1.00000
  La4 La 0.33296 0.33296 0.55401 1.00000
  La5 La 0.00000 0.00000 0.00000 1.00000
  Nd1 Nd 0.00202 0.00202 0.33161 1.00000
  Nd2 Nd 0.99798 0.99798 0.66839 1.00000
  Ho1 Ho 0.33264 0.33264 0.22301 1.00000
  Ho2 Ho 0.66736 0.66736 0.77699 1.00000
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