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Pm6Dy5

Alexandria ALEX

Alex-ID: agm003293116 · Space group: C2/m (#12)

Basic Information

Formula
Pm6Dy5
Alex-ID
agm003293116
Elements
2
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
371.53
ų
Cell a
10.2746
Å
Cell b
8.4422
Å
Cell c
6.0873
Å
α angle
73.66
°
β angle
62.46
°
γ angle
52.52
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pm6Dy5
Pm
6.00 · 54.5%
Dy
5.00 · 45.5%

Energy & Stability

Energy above hull
0.1292
eV/atom
Formation energy
0.1249
eV/atom
Corrected total energy
-50.1485
eV
Raw total energy
-50.1485
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
17.8406
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A5B6_66_spg12

Decomposition

Pm3Dy5 Pm

Computed at

2022-01-17 03:13:17.912556

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: agm003293116).

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 agm003293116
data_agm003293116
_cell_length_a     10.27460
_cell_length_b     8.44224
_cell_length_c     6.08729
_cell_angle_alpha  73.66042
_cell_angle_beta   62.46338
_cell_angle_gamma  52.51721
_cell_volume       371.53330
_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 0.81740 0.00000 0.58381 1.00000
  Pm2 Pm 0.18260 1.00000 0.41619 1.00000
  Pm3 Pm 0.32268 0.72436 0.89601 1.00000
  Pm4 Pm 0.95296 0.72436 0.10399 1.00000
  Pm5 Pm 0.67732 0.27564 0.10399 1.00000
  Pm6 Pm 0.04704 0.27564 0.89601 1.00000
  Dy1 Dy 0.50000 0.00000 0.50000 1.00000
  Dy2 Dy 0.36926 0.26147 1.00000 1.00000
  Dy3 Dy 0.63074 0.73853 0.00000 1.00000
  Dy4 Dy 0.23325 0.53349 0.50000 1.00000
  Dy5 Dy 0.76675 0.46651 0.50000 1.00000
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