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La3Pm4Ho

Alexandria ALEX

Alex-ID: agm006036733 · Space group: Immm (#71)

Alexandria Database API

Basic Information

Formula
La3Pm4Ho
Alex-ID
agm006036733
Elements
3
Sites
8
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
283.35
ų
Cell a
3.5561
Å
Cell b
9.1273
Å
Cell c
9.1273
Å
α angle
81.85
°
β angle
78.77
°
γ angle
78.77
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La3Pm4Ho
Pm
4.00 · 50.0%
Ho
1.00 · 12.5%
La
3.00 · 37.5%

Energy & Stability

Energy above hull
0.1194
eV/atom
Formation energy
0.1115
eV/atom
Corrected total energy
-37.4714
eV
Raw total energy
-37.4714
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0074
eV
DOS at Fermi level
12.3243
Total magnetisation
-0.0001
μB

Additional Information

Prototype ID

AB3C4_380_spg71

Decomposition

Pm3Ho5 LaPm Pm

Computed at

2023-09-27 20:22:52.191872

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: agm006036733).

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 agm006036733
data_agm006036733
_cell_length_a     3.55611
_cell_length_b     9.12734
_cell_length_c     9.12734
_cell_angle_alpha  81.84825
_cell_angle_beta   78.76667
_cell_angle_gamma  78.76666
_cell_volume       283.34579
_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
  Pm1 Pm 0.63328 0.11322 0.62022 1.00000
  Pm2 Pm 0.36672 0.88678 0.37978 1.00000
  Pm3 Pm 0.36672 0.37978 0.88678 1.00000
  Pm4 Pm 0.63328 0.62022 0.11322 1.00000
  Ho1 Ho 0.50000 0.00000 0.00000 1.00000
  La1 La 0.75877 0.24123 0.24124 1.00000
  La2 La 0.24123 0.75877 0.75876 1.00000
  La3 La 0.00000 0.50000 0.50000 1.00000
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