Navigation

HEAS Data Platform · Materials Science Database

La3Pm7Dy

Alexandria ALEX

Alex-ID: agm003583296 · Space group: Immm (#71)

Basic Information

Formula
La3Pm7Dy
Alex-ID
agm003583296
Elements
3
Sites
11
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
393.82
ų
Cell a
5.9943
Å
Cell b
8.6430
Å
Cell c
8.6430
Å
α angle
82.74
°
β angle
110.31
°
γ angle
110.31
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La3Pm7Dy
La
3.00 · 27.3%
Pm
7.00 · 63.6%
Dy
1.00 · 9.1%

Energy & Stability

Energy above hull
0.2392
eV/atom
Formation energy
0.2333
eV/atom
Corrected total energy
-50.0745
eV
Raw total energy
-50.0745
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
16.5098
Total magnetisation
0.0129
μB

Additional Information

Prototype ID

AB3C7_119_spg71

Decomposition

Pm3Dy5 LaPm Pm

Computed at

2022-04-02 22:47:12.907135

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: agm003583296).

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 agm003583296
data_agm003583296
_cell_length_a     5.99434
_cell_length_b     8.64299
_cell_length_c     8.64299
_cell_angle_alpha  82.73977
_cell_angle_beta   110.31166
_cell_angle_gamma  110.31166
_cell_volume       393.81889
_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 0.78686 0.21314 1.00000
  La2 La 0.50000 0.00000 0.00000 1.00000
  La3 La 0.00000 0.21314 0.78686 1.00000
  Pm1 Pm 0.20904 0.20856 0.20856 1.00000
  Pm2 Pm 0.30048 0.00394 0.59683 1.00000
  Pm3 Pm 0.69952 0.40317 0.99606 1.00000
  Pm4 Pm 0.30048 0.59683 0.00394 1.00000
  Pm5 Pm 0.00000 0.50000 0.50000 1.00000
  Pm6 Pm 0.69952 0.99606 0.40317 1.00000
  Pm7 Pm 0.79096 0.79144 0.79144 1.00000
  Dy1 Dy 0.50000 0.50000 0.50000 1.00000
Get direct link