Navigation

HEAS Data Platform · Materials Science Database

Pm3(DyRh)4

Alexandria ALEX

Alex-ID: agm003379639 · Space group: Immm (#71)

Basic Information

Formula
Pm3(DyRh)4
Alex-ID
agm003379639
Elements
3
Sites
11
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
271.88
ų
Cell a
3.8409
Å
Cell b
8.8948
Å
Cell c
9.3166
Å
α angle
118.51
°
β angle
101.90
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pm3(DyRh)4
Pm
3.00 · 27.3%
Dy
4.00 · 36.4%
Rh
4.00 · 36.4%

Energy & Stability

Energy above hull
0.0884
eV/atom
Formation energy
-0.5964
eV/atom
Corrected total energy
-68.6335
eV
Raw total energy
-68.6335
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
8.4842
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B4C4_3_spg71

Decomposition

Pm7Rh3 Dy5Rh3 Pm5Rh3

Computed at

2022-02-09 06:15:46.104385

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: agm003379639).

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 agm003379639
data_agm003379639
_cell_length_a     3.84091
_cell_length_b     8.89478
_cell_length_c     9.31656
_cell_angle_alpha  118.51338
_cell_angle_beta   101.89586
_cell_angle_gamma  90.00000
_cell_volume       271.87964
_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 0.10184 0.10184 0.20367 1.00000
  Pm2 Pm 0.89816 0.89816 0.79633 1.00000
  Pm3 Pm 0.00000 0.50000 0.00000 1.00000
  Dy1 Dy 0.33343 0.14534 0.66686 1.00000
  Dy2 Dy 0.66657 0.47848 0.33314 1.00000
  Dy3 Dy 0.66657 0.85466 0.33314 1.00000
  Dy4 Dy 0.33343 0.52152 0.66686 1.00000
  Rh1 Rh 0.24618 0.74618 0.49236 1.00000
  Rh2 Rh 0.75382 0.25382 0.50764 1.00000
  Rh3 Rh 0.50000 0.77955 0.00000 1.00000
  Rh4 Rh 0.50000 0.22045 1.00000 1.00000
Get direct link