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La3(NdHo)2

Alexandria ALEX

Alex-ID: agm009231802 · Space group: C2/m (#12)

Basic Information

Formula
La3(NdHo)2
Alex-ID
agm009231802
Elements
3
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
243.31
ų
Cell a
6.3527
Å
Cell b
6.3527
Å
Cell c
8.1729
Å
α angle
83.09
°
β angle
96.91
°
γ angle
131.91
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La3(NdHo)2
La
3.00 · 42.9%
Nd
2.00 · 28.6%
Ho
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0335
eV/atom
Formation energy
0.0256
eV/atom
Corrected total energy
-33.3047
eV
Raw total energy
-33.3047
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
12.1473
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C3_101_spg12

Decomposition

LaNd LaHo2

Computed at

2025-06-20 06:59:27

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: agm009231802).

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 agm009231802
data_agm009231802
_cell_length_a     6.35267
_cell_length_b     6.35267
_cell_length_c     8.17295
_cell_angle_alpha  83.08968
_cell_angle_beta   96.91032
_cell_angle_gamma  131.91277
_cell_volume       243.30838
_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 0.00000 0.00000 0.00000 1.00000
  La2 La 0.14230 0.85770 0.42738 1.00000
  La3 La 0.85770 0.14230 0.57262 1.00000
  Nd1 Nd 0.28453 0.71547 0.85732 1.00000
  Nd2 Nd 0.71547 0.28453 0.14268 1.00000
  Ho1 Ho 0.42867 0.57133 0.28644 1.00000
  Ho2 Ho 0.57133 0.42867 0.71356 1.00000
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