Navigation

HEAS Data Platform · Materials Science Database

La2Pm2DyTm2

Alexandria ALEX

Alex-ID: agm024354575 · Space group: C2/m (#12)

Basic Information

Formula
La2Pm2DyTm2
Alex-ID
agm024354575
Elements
4
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
234.37
ų
Cell a
6.2137
Å
Cell b
6.2137
Å
Cell c
8.1379
Å
α angle
82.27
°
β angle
97.73
°
γ angle
131.05
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La2Pm2DyTm2
La
2.00 · 28.6%
Pm
2.00 · 28.6%
Dy
1.00 · 14.3%
Tm
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0358
eV/atom
Formation energy
0.0274
eV/atom
Corrected total energy
-32.7113
eV
Raw total energy
-32.7113
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
11.0459
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

AB2C2D2_474_spg5

Decomposition

LaDy4 Pm3Dy5 LaPm DyTm5

Computed at

2025-06-23 00:50:03

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: agm024354575).

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 agm024354575
data_agm024354575
_cell_length_a     6.21374
_cell_length_b     6.21374
_cell_length_c     8.13788
_cell_angle_alpha  82.27092
_cell_angle_beta   97.72908
_cell_angle_gamma  131.04711
_cell_volume       234.36507
_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 0.28700 0.71300 0.35867 1.00000
  La2 La 0.71300 0.28700 0.64133 1.00000
  Pm1 Pm 0.85827 0.14173 0.07416 1.00000
  Pm2 Pm 0.14173 0.85827 0.92584 1.00000
  Dy1 Dy 0.00000 0.00000 0.50000 1.00000
  Tm1 Tm 0.42792 0.57208 0.79114 1.00000
  Tm2 Tm 0.57208 0.42792 0.20886 1.00000
Get direct link