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Pm2Pr4DyMg

Alexandria ALEX

Alex-ID: agm004864293 · Space group: P4/mmm (#123)

Alexandria Database API

Basic Information

Formula
Pm2Pr4DyMg
Alex-ID
agm004864293
Elements
4
Sites
8
Space group
P4/mmm (#123)
Crystal system
tetragonal
Volume
267.41
ų
Cell a
5.1181
Å
Cell b
5.1189
Å
Cell c
11.4187
Å
α angle
63.36
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pm2Pr4DyMg
Pm
2.00 · 25.0%
Pr
4.00 · 50.0%
Dy
1.00 · 12.5%
Mg
1.00 · 12.5%

Energy & Stability

Energy above hull
0.0373
eV/atom
Formation energy
0.0061
eV/atom
Corrected total energy
-34.7862
eV
Raw total energy
-34.7862
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
10.3993
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

ABC2D4_443_spg123

Decomposition

Pm2Pr Pm3PrDy4 PmPrMg2 Pr

Computed at

2022-07-17 03:50:40.228768

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: agm004864293).

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 agm004864293
data_agm004864293
_cell_length_a     5.11812
_cell_length_b     5.11890
_cell_length_c     11.41866
_cell_angle_alpha  63.36424
_cell_angle_beta   89.99962
_cell_angle_gamma  89.99965
_cell_volume       267.41082
_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 1.00000 1.00000
  Pm2 Pm 0.50000 0.00000 0.50000 1.00000
  Pr1 Pr 0.00000 0.74710 0.75299 1.00000
  Pr2 Pr 1.00000 0.25290 0.24701 1.00000
  Pr3 Pr 0.50000 0.75239 0.24736 1.00000
  Pr4 Pr 0.50000 0.24761 0.75264 1.00000
  Dy1 Dy 0.00000 0.49999 0.50000 1.00000
  Mg1 Mg 0.50000 0.50000 1.00000 1.00000
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