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Pm(DyMg4)2

Alexandria ALEX

Alex-ID: agm005950697 · Space group: C2/m (#12)

Basic Information

Formula
Pm(DyMg4)2
Alex-ID
agm005950697
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
281.78
ų
Cell a
5.0586
Å
Cell b
7.3089
Å
Cell c
8.4098
Å
α angle
107.29
°
β angle
107.50
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pm(DyMg4)2
Pm
1.00 · 9.1%
Dy
2.00 · 18.2%
Mg
8.00 · 72.7%

Energy & Stability

Energy above hull
0.0493
eV/atom
Formation energy
-0.0431
eV/atom
Corrected total energy
-27.1891
eV
Raw total energy
-27.1891
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
6.2479
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C8_278_spg12

Decomposition

DyMg3 PmMg3 DyMg

Computed at

2023-09-27 01:14:59

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: agm005950697).

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 agm005950697
data_agm005950697
_cell_length_a     5.05861
_cell_length_b     7.30892
_cell_length_c     8.40984
_cell_angle_alpha  107.28845
_cell_angle_beta   107.50300
_cell_angle_gamma  90.00001
_cell_volume       281.77594
_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 0.50000 0.00000 0.00000 1.00000
  Dy1 Dy 0.22060 0.63756 0.44120 1.00000
  Dy2 Dy 0.77940 0.36244 0.55880 1.00000
  Mg1 Mg 0.67950 0.89720 0.35899 1.00000
  Mg2 Mg 0.41020 0.53111 0.82041 1.00000
  Mg3 Mg 0.14198 0.15476 0.28396 1.00000
  Mg4 Mg 0.97316 0.28231 0.94631 1.00000
  Mg5 Mg 0.85802 0.84524 0.71604 1.00000
  Mg6 Mg 0.58980 0.46889 0.17959 1.00000
  Mg7 Mg 0.32050 0.10279 0.64101 1.00000
  Mg8 Mg 0.02684 0.71769 0.05369 1.00000
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