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LaPm5

Alexandria ALEX

Alex-ID: agm069605909 · Space group: Pmmm (#47)

Basic Information

Formula
LaPm5
Alex-ID
agm069605909
Elements
2
Sites
6
Space group
Pmmm (#47)
Crystal system
orthorhombic
Volume
209.70
ų
Cell a
3.6715
Å
Cell b
5.1883
Å
Cell c
11.0085
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
LaPm5
La
1.00 · 16.7%
Pm
5.00 · 83.3%

Energy & Stability

Energy above hull
0.0188
eV/atom
Formation energy
0.0157
eV/atom
Corrected total energy
-28.5863
eV
Raw total energy
-28.5863
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0155
eV
DOS at Fermi level
8.8677
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB5_239_spg38

Decomposition

LaPm Pm

Computed at

2025-04-14 11:11:42

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: agm069605909).

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 agm069605909
data_agm069605909
_cell_length_a     3.67146
_cell_length_b     5.18832
_cell_length_c     11.00854
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       209.69809
_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 0.50000 0.00000 0.50000 1.00000
  Pm1 Pm 0.00000 0.50000 0.00000 1.00000
  Pm2 Pm 0.50000 0.00000 0.83438 1.00000
  Pm3 Pm 0.50000 0.00000 0.16562 1.00000
  Pm4 Pm 0.00000 0.50000 0.33063 1.00000
  Pm5 Pm 0.00000 0.50000 0.66937 1.00000
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