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Pm(DyHo3)2

Alexandria ALEX

Alex-ID: agm035242569 · Space group: C2/m (#12)

Basic Information

Formula
Pm(DyHo3)2
Alex-ID
agm035242569
Elements
3
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
282.98
ų
Cell a
9.4480
Å
Cell b
9.4480
Å
Cell c
9.4870
Å
α angle
64.76
°
β angle
115.24
°
γ angle
158.22
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pm(DyHo3)2
Pm
1.00 · 11.1%
Dy
2.00 · 22.2%
Ho
6.00 · 66.7%

Energy & Stability

Energy above hull
0.0014
eV/atom
Formation energy
-0.0034
eV/atom
Corrected total energy
-41.4598
eV
Raw total energy
-41.4598
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
11.4665
Total magnetisation
-0.0001
μB

Additional Information

Prototype ID

AB2C6_48_spg2

Decomposition

Pm(DyHo3)2

Computed at

2024-12-09 09:05:56

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: agm035242569).

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 agm035242569
data_agm035242569
_cell_length_a     9.44797
_cell_length_b     9.44797
_cell_length_c     9.48695
_cell_angle_alpha  64.75652
_cell_angle_beta   115.24348
_cell_angle_gamma  158.22461
_cell_volume       282.98133
_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 0.85211 0.14789 0.33358 1.00000
  Dy2 Dy 0.14789 0.85211 0.66642 1.00000
  Ho1 Ho 0.33248 0.66752 0.99903 1.00000
  Ho2 Ho 0.66752 0.33248 0.00097 1.00000
  Ho3 Ho 0.81419 0.18581 0.66505 1.00000
  Ho4 Ho 0.18581 0.81419 0.33495 1.00000
  Ho5 Ho 0.51902 0.48098 0.33513 1.00000
  Ho6 Ho 0.48098 0.51902 0.66487 1.00000
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