Navigation

HEAS Data Platform · Materials Science Database

Pm4Dy3Ho4

Alexandria ALEX

Alex-ID: agm005698869 · Space group: Immm (#71)

Basic Information

Formula
Pm4Dy3Ho4
Alex-ID
agm005698869
Elements
3
Sites
11
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
365.91
ų
Cell a
3.5415
Å
Cell b
11.2915
Å
Cell c
10.8967
Å
α angle
121.21
°
β angle
99.35
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pm4Dy3Ho4
Pm
4.00 · 36.4%
Dy
3.00 · 27.3%
Ho
4.00 · 36.4%

Energy & Stability

Energy above hull
0.1834
eV/atom
Formation energy
0.1777
eV/atom
Corrected total energy
-49.1735
eV
Raw total energy
-49.1735
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
14.6104
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B4C4_216_spg71

Decomposition

Pm3DyHo4 Pm2DyHo6 Pm3Dy5

Computed at

2023-06-29 23:14:59.439788

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: agm005698869).

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 agm005698869
data_agm005698869
_cell_length_a     3.54151
_cell_length_b     11.29149
_cell_length_c     10.89668
_cell_angle_alpha  121.20608
_cell_angle_beta   99.35113
_cell_angle_gamma  90.00000
_cell_volume       365.91115
_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 0.78662 0.28663 0.57326 1.00000
  Pm2 Pm 0.21338 0.71337 0.42674 1.00000
  Pm3 Pm 0.50000 0.78745 1.00000 1.00000
  Pm4 Pm 0.50000 0.21255 0.00000 1.00000
  Dy1 Dy 0.89202 0.89202 0.78404 1.00000
  Dy2 Dy 0.10798 0.10798 0.21596 1.00000
  Dy3 Dy 0.00000 0.50000 0.00000 1.00000
  Ho1 Ho 0.67174 0.42307 0.34345 1.00000
  Ho2 Ho 0.32826 0.07961 0.65655 1.00000
  Ho3 Ho 0.32826 0.57693 0.65655 1.00000
  Ho4 Ho 0.67174 0.92039 0.34345 1.00000
Get direct link