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La2Tb2Pm2Dy

Alexandria ALEX

Alex-ID: agm024154564 · Space group: C2/m (#12)

Alexandria Database API

Basic Information

Formula
La2Tb2Pm2Dy
Alex-ID
agm024154564
Elements
4
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
238.59
ų
Cell a
6.2693
Å
Cell b
6.2693
Å
Cell c
8.1700
Å
α angle
82.40
°
β angle
97.60
°
γ angle
131.33
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La2Tb2Pm2Dy
La
2.00 · 28.6%
Tb
2.00 · 28.6%
Pm
2.00 · 28.6%
Dy
1.00 · 14.3%

Energy & Stability

Energy above hull
0.0330
eV/atom
Formation energy
0.0244
eV/atom
Corrected total energy
-33.0536
eV
Raw total energy
-33.0536
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
11.2953
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2D2_136_spg164

Decomposition

La2PmDy La3Tb4Pm LaDy4 Tb2Pm3Dy

Computed at

2025-06-18 09:32:34

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: agm024154564).

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 agm024154564
data_agm024154564
_cell_length_a     6.26933
_cell_length_b     6.26933
_cell_length_c     8.17003
_cell_angle_alpha  82.39787
_cell_angle_beta   97.60213
_cell_angle_gamma  131.32813
_cell_volume       238.58540
_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 0.28657 0.71343 0.35868 1.00000
  La2 La 0.71343 0.28657 0.64132 1.00000
  Tb1 Tb 0.42795 0.57205 0.78999 1.00000
  Tb2 Tb 0.57205 0.42795 0.21001 1.00000
  Pm1 Pm 0.85810 0.14190 0.07409 1.00000
  Pm2 Pm 0.14190 0.85810 0.92591 1.00000
  Dy1 Dy 0.00000 0.00000 0.50000 1.00000
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