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La4PmNdHo2

Alexandria ALEX

Alex-ID: agm004771313 · Space group: P2/m (#10)

Alexandria Database API

Basic Information

Formula
La4PmNdHo2
Alex-ID
agm004771313
Elements
4
Sites
8
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
277.73
ų
Cell a
3.6854
Å
Cell b
6.3590
Å
Cell c
12.0390
Å
α angle
79.85
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La4PmNdHo2
La
4.00 · 50.0%
Pm
1.00 · 12.5%
Nd
1.00 · 12.5%
Ho
2.00 · 25.0%

Energy & Stability

Energy above hull
0.0194
eV/atom
Formation energy
0.0112
eV/atom
Corrected total energy
-38.3000
eV
Raw total energy
-38.3000
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0102
eV
DOS at Fermi level
11.4223
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC2D4_449_spg10

Decomposition

La2Nd LaHo2 LaPm

Computed at

2022-07-16 18:10:18.272708

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: agm004771313).

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 agm004771313
data_agm004771313
_cell_length_a     3.68542
_cell_length_b     6.35895
_cell_length_c     12.03902
_cell_angle_alpha  79.85383
_cell_angle_beta   89.99972
_cell_angle_gamma  89.99980
_cell_volume       277.72705
_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 0.75328 0.74746 1.00000
  La2 La 1.00000 0.24672 0.25254 1.00000
  La3 La 0.50000 0.75309 0.24873 1.00000
  La4 La 0.50000 0.24691 0.75127 1.00000
  Pm1 Pm 0.00000 0.49999 0.50000 1.00000
  Nd1 Nd 0.50000 0.50000 1.00000 1.00000
  Ho1 Ho 0.00000 0.00000 1.00000 1.00000
  Ho2 Ho 0.50000 0.00000 0.50000 1.00000
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