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Pm2Pr2Dy5

Alexandria ALEX

Alex-ID: agm009586554 · Space group: C2/m (#12)

Basic Information

Formula
Pm2Pr2Dy5
Alex-ID
agm009586554
Elements
3
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
298.95
ų
Cell a
9.6021
Å
Cell b
9.6021
Å
Cell c
8.9713
Å
α angle
76.42
°
β angle
76.42
°
γ angle
21.85
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pm2Pr2Dy5
Pm
2.00 · 22.2%
Pr
2.00 · 22.2%
Dy
5.00 · 55.6%

Energy & Stability

Energy above hull
0.0081
eV/atom
Formation energy
0.0029
eV/atom
Corrected total energy
-42.0613
eV
Raw total energy
-42.0613
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
11.7066
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C5_485_spg2

Decomposition

PmPr3Dy4 PrDy5 Pm3PrDy4

Computed at

2024-05-05 07:27:46.154354

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: agm009586554).

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 agm009586554
data_agm009586554
_cell_length_a     9.60209
_cell_length_b     9.60209
_cell_length_c     8.97134
_cell_angle_alpha  76.41837
_cell_angle_beta   76.41837
_cell_angle_gamma  21.85247
_cell_volume       298.94840
_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 0.59258 0.59258 0.66470 1.00000
  Pm2 Pm 0.40742 0.40742 0.33530 1.00000
  Pr1 Pr 0.33381 0.33381 0.00016 1.00000
  Pr2 Pr 0.66619 0.66619 0.99984 1.00000
  Dy1 Dy 0.74000 0.74000 0.33553 1.00000
  Dy2 Dy 0.26000 0.26000 0.66447 1.00000
  Dy3 Dy 0.92596 0.92596 0.66564 1.00000
  Dy4 Dy 0.07404 0.07404 0.33436 1.00000
  Dy5 Dy 0.00000 0.00000 0.00000 1.00000
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