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Pm4Dy10Y

Alexandria ALEX

Alex-ID: agm005998568 · Space group: I4/m (#87)

Basic Information

Formula
Pm4Dy10Y
Alex-ID
agm005998568
Elements
3
Sites
15
Space group
I4/m (#87)
Crystal system
tetragonal
Volume
549.85
ų
Cell a
11.5565
Å
Cell b
8.9982
Å
Cell c
8.9982
Å
α angle
65.65
°
β angle
50.05
°
γ angle
50.05
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pm4Dy10Y
Pm
4.00 · 26.7%
Dy
10.00 · 66.7%
Y
1.00 · 6.7%

Energy & Stability

Energy above hull
0.4372
eV/atom
Formation energy
0.4322
eV/atom
Corrected total energy
-65.0206
eV
Raw total energy
-65.0206
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
22.0626
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C10_63_spg87

Decomposition

Pm2Dy7 Pm3Dy5 PmY2

Computed at

2023-08-08 21:29:52.809394

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: agm005998568).

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 agm005998568
data_agm005998568
_cell_length_a     11.55652
_cell_length_b     8.99817
_cell_length_c     8.99817
_cell_angle_alpha  65.64630
_cell_angle_beta   50.04699
_cell_angle_gamma  50.04699
_cell_volume       549.84552
_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 0.57149 0.60147 0.25556 1.00000
  Pm2 Pm 0.82704 0.74444 0.60147 1.00000
  Pm3 Pm 0.17296 0.25556 0.39853 1.00000
  Pm4 Pm 0.42851 0.39853 0.74444 1.00000
  Dy1 Dy 0.25000 0.50000 0.50000 1.00000
  Dy2 Dy 0.72031 0.34650 0.88983 1.00000
  Dy3 Dy 0.93319 0.11017 0.34650 1.00000
  Dy4 Dy 0.38986 0.88983 0.65350 1.00000
  Dy5 Dy 0.95664 0.65350 0.11017 1.00000
  Dy6 Dy 0.27969 0.65350 0.11017 1.00000
  Dy7 Dy 0.75000 0.50000 0.50000 1.00000
  Dy8 Dy 0.04336 0.34650 0.88983 1.00000
  Dy9 Dy 0.61014 0.11017 0.34650 1.00000
  Dy10 Dy 0.06681 0.88983 0.65350 1.00000
  Y1 Y 0.00000 0.00000 0.00000 1.00000
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