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Pm8Dy5Ho

Alexandria ALEX

Alex-ID: agm006114232 · Space group: I-4 (#82)

Basic Information

Formula
Pm8Dy5Ho
Alex-ID
agm006114232
Elements
3
Sites
14
Space group
I-4 (#82)
Crystal system
tetragonal
Volume
478.74
ų
Cell a
8.5409
Å
Cell b
8.5429
Å
Cell c
8.5409
Å
α angle
111.03
°
β angle
106.37
°
γ angle
111.05
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pm8Dy5Ho
Pm
8.00 · 57.1%
Dy
5.00 · 35.7%
Ho
1.00 · 7.1%

Energy & Stability

Energy above hull
0.2576
eV/atom
Formation energy
0.2536
eV/atom
Corrected total energy
-62.0520
eV
Raw total energy
-62.0520
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0366
eV
DOS at Fermi level
20.6580
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

AB5C8_5_spg82

Decomposition

Pm3DyHo4 Pm3Dy5 Pm

Computed at

2023-08-11 05:41:34.425814

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: agm006114232).

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 agm006114232
data_agm006114232
_cell_length_a     8.54095
_cell_length_b     8.54288
_cell_length_c     8.54095
_cell_angle_alpha  111.02942
_cell_angle_beta   106.37201
_cell_angle_gamma  111.04605
_cell_volume       478.74212
_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 0.16558 0.73414 0.07533 1.00000
  Pm2 Pm 0.92471 0.09014 0.65869 1.00000
  Pm3 Pm 0.73128 0.25753 0.33568 1.00000
  Pm4 Pm 0.66435 0.39559 0.92181 1.00000
  Pm5 Pm 0.52622 0.60441 0.26877 1.00000
  Pm6 Pm 0.56855 0.90986 0.83457 1.00000
  Pm7 Pm 0.34119 0.26586 0.43145 1.00000
  Pm8 Pm 0.07815 0.74247 0.47375 1.00000
  Dy1 Dy 0.03400 0.31419 0.13185 1.00000
  Dy2 Dy 0.86808 0.90209 0.18222 1.00000
  Dy3 Dy 0.81766 0.68581 0.71980 1.00000
  Dy4 Dy 0.50001 1.00000 0.50001 1.00000
  Dy5 Dy 0.28013 0.09791 0.96599 1.00000
  Ho1 Ho 0.25008 0.50000 0.75008 1.00000
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