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PmDy4

Alexandria ALEX

Alex-ID: agm010174802 · Space group: Cmmm (#65)

Basic Information

Formula
PmDy4
Alex-ID
agm010174802
Elements
2
Sites
5
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
160.69
ų
Cell a
8.8070
Å
Cell b
8.8070
Å
Cell c
3.5259
Å
α angle
90.00
°
β angle
90.00
°
γ angle
144.01
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
PmDy4
Pm
1.00 · 20.0%
Dy
4.00 · 80.0%

Energy & Stability

Energy above hull
0.0463
eV/atom
Formation energy
0.0424
eV/atom
Corrected total energy
-22.9534
eV
Raw total energy
-22.9534
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
7.4716
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4_533_spg12

Decomposition

Pm2Dy7 PmDy8

Computed at

2024-04-23 17:24:08.367973

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: agm010174802).

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 agm010174802
data_agm010174802
_cell_length_a     8.80703
_cell_length_b     8.80703
_cell_length_c     3.52590
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  144.01453
_cell_volume       160.69236
_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 0.00000 0.00000 0.00000 1.00000
  Dy1 Dy 0.38967 0.61033 0.50000 1.00000
  Dy2 Dy 0.80021 0.19979 0.00000 1.00000
  Dy3 Dy 0.19979 0.80021 0.00000 1.00000
  Dy4 Dy 0.61033 0.38967 0.50000 1.00000
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