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Pm5(Dy2Ho)2

Alexandria ALEX

Alex-ID: agm005652010 · Space group: C2/m (#12)

Basic Information

Formula
Pm5(Dy2Ho)2
Alex-ID
agm005652010
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
362.27
ų
Cell a
3.5475
Å
Cell b
11.6096
Å
Cell c
8.9945
Å
α angle
93.94
°
β angle
101.37
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pm5(Dy2Ho)2
Pm
5.00 · 45.5%
Dy
4.00 · 36.4%
Ho
2.00 · 18.2%

Energy & Stability

Energy above hull
0.0796
eV/atom
Formation energy
0.0745
eV/atom
Corrected total energy
-50.5055
eV
Raw total energy
-50.5055
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
15.5286
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B4C5_643_spg12

Decomposition

Pm3DyHo4 Pm3Dy5 Pm

Computed at

2023-06-22 09:50:45.874756

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: agm005652010).

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 agm005652010
data_agm005652010
_cell_length_a     3.54747
_cell_length_b     11.60965
_cell_length_c     8.99448
_cell_angle_alpha  93.94395
_cell_angle_beta   101.37332
_cell_angle_gamma  89.99990
_cell_volume       362.26729
_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 0.90336 0.46449 0.80672 1.00000
  Pm2 Pm 0.09664 0.53551 0.19328 1.00000
  Pm3 Pm 0.82315 0.92969 0.64631 1.00000
  Pm4 Pm 0.50000 0.00000 0.00000 1.00000
  Pm5 Pm 0.17685 0.07031 0.35369 1.00000
  Dy1 Dy 0.35929 0.20517 0.71858 1.00000
  Dy2 Dy 0.96409 0.73995 0.92818 1.00000
  Dy3 Dy 0.64071 0.79483 0.28142 1.00000
  Dy4 Dy 0.03591 0.26005 0.07182 1.00000
  Ho1 Ho 0.71572 0.35279 0.43144 1.00000
  Ho2 Ho 0.28428 0.64721 0.56856 1.00000
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