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La3Pm4

Alexandria ALEX

Alex-ID: agm007887902 · Space group: C2/m (#12)

Basic Information

Formula
La3Pm4
Alex-ID
agm007887902
Elements
2
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
248.92
ų
Cell a
6.3792
Å
Cell b
6.3792
Å
Cell c
8.2543
Å
α angle
82.53
°
β angle
82.53
°
γ angle
48.48
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La3Pm4
La
3.00 · 42.9%
Pm
4.00 · 57.1%

Energy & Stability

Energy above hull
0.0258
eV/atom
Formation energy
0.0179
eV/atom
Corrected total energy
-33.6595
eV
Raw total energy
-33.6595
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
12.7202
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B4_1854_spg12

Decomposition

LaPm Pm

Computed at

2024-05-04 09:50:11.622354

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: agm007887902).

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 agm007887902
data_agm007887902
_cell_length_a     6.37917
_cell_length_b     6.37917
_cell_length_c     8.25430
_cell_angle_alpha  82.52934
_cell_angle_beta   82.52934
_cell_angle_gamma  48.47745
_cell_volume       248.91569
_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 0.42862 0.42862 0.71508 1.00000
  La3 La 0.57138 0.57138 0.28492 1.00000
  Pm1 Pm 0.14300 0.14300 0.56879 1.00000
  Pm2 Pm 0.85700 0.85700 0.43121 1.00000
  Pm3 Pm 0.28643 0.28643 0.14451 1.00000
  Pm4 Pm 0.71357 0.71357 0.85549 1.00000
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