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Pm(Dy2Cu)4

Alexandria ALEX

Alex-ID: agm097872483 · Space group: Pm (#6)

Basic Information

Formula
Pm(Dy2Cu)4
Alex-ID
agm097872483
Elements
3
Sites
13
Space group
Pm (#6)
Crystal system
monoclinic
Volume
331.40
ų
Cell a
10.0404
Å
Cell b
3.6076
Å
Cell c
10.2968
Å
α angle
90.00
°
β angle
117.31
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pm(Dy2Cu)4
Pm
1.00 · 7.7%
Dy
8.00 · 61.5%
Cu
4.00 · 30.8%

Energy & Stability

Energy above hull
0.0606
eV/atom
Formation energy
-0.0843
eV/atom
Corrected total energy
-59.3162
eV
Raw total energy
-59.3162
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
17.4168
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_1607_spg8

Decomposition

Pm2Dy7 PmDy8 DyCu

Computed at

2025-06-13 23:46:14

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: agm097872483).

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 agm097872483
data_agm097872483
_cell_length_a     10.04040
_cell_length_b     3.60759
_cell_length_c     10.29679
_cell_angle_alpha  90.00000
_cell_angle_beta   117.30902
_cell_angle_gamma  90.00000
_cell_volume       331.39751
_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 0.95437 0.00000 0.01661 1.00000
  Dy1 Dy 0.71412 0.50000 0.11953 1.00000
  Dy2 Dy 0.28715 0.50000 0.26933 1.00000
  Dy3 Dy 0.31178 0.50000 0.68449 1.00000
  Dy4 Dy 0.99726 0.00000 0.68509 1.00000
  Dy5 Dy 0.05202 0.00000 0.37315 1.00000
  Dy6 Dy 0.62364 0.00000 0.37679 1.00000
  Dy7 Dy 0.68768 0.50000 0.70434 1.00000
  Dy8 Dy 0.37437 0.00000 0.00989 1.00000
  Cu1 Cu 0.12665 0.50000 0.92161 1.00000
  Cu2 Cu 0.57074 0.00000 0.85152 1.00000
  Cu3 Cu 0.42623 0.00000 0.53631 1.00000
  Cu4 Cu 0.87398 0.50000 0.45133 1.00000
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