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Pm4Dy4Ho3

Alexandria ALEX

Alex-ID: agm005698877 · Space group: Immm (#71)

Basic Information

Formula
Pm4Dy4Ho3
Alex-ID
agm005698877
Elements
3
Sites
11
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
366.88
ų
Cell a
3.5996
Å
Cell b
9.3920
Å
Cell c
11.9607
Å
α angle
113.12
°
β angle
98.65
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pm4Dy4Ho3
Pm
4.00 · 36.4%
Dy
4.00 · 36.4%
Ho
3.00 · 27.3%

Energy & Stability

Energy above hull
0.1302
eV/atom
Formation energy
0.1244
eV/atom
Corrected total energy
-49.7846
eV
Raw total energy
-49.7846
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
17.7803
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B4C4_146_spg12

Decomposition

Pm3DyHo4 Pm2DyHo6 Pm3Dy5

Computed at

2023-06-29 23:59:54.873774

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: agm005698877).

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 agm005698877
data_agm005698877
_cell_length_a     3.59957
_cell_length_b     9.39201
_cell_length_c     11.96073
_cell_angle_alpha  113.11764
_cell_angle_beta   98.65377
_cell_angle_gamma  90.00002
_cell_volume       366.87900
_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 0.64425 0.46598 0.28848 1.00000
  Pm2 Pm 0.35575 0.17751 0.71152 1.00000
  Pm3 Pm 0.35575 0.53402 0.71152 1.00000
  Pm4 Pm 0.64425 0.82249 0.28848 1.00000
  Dy1 Dy 0.73986 0.23987 0.47974 1.00000
  Dy2 Dy 0.26014 0.76013 0.52026 1.00000
  Dy3 Dy 0.50000 0.81686 1.00000 1.00000
  Dy4 Dy 0.50000 0.18314 0.00000 1.00000
  Ho1 Ho 0.89261 0.89261 0.78522 1.00000
  Ho2 Ho 0.10739 0.10739 0.21478 1.00000
  Ho3 Ho 0.00000 0.50000 0.00000 1.00000
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