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Pm2DyHoSc4

Alexandria ALEX

Alex-ID: agm004863601 · Space group: P2/m (#10)

Alexandria Database API

Basic Information

Formula
Pm2DyHoSc4
Alex-ID
agm004863601
Elements
4
Sites
8
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
225.95
ų
Cell a
3.4452
Å
Cell b
5.9600
Å
Cell c
11.1804
Å
α angle
79.81
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pm2DyHoSc4
Pm
2.00 · 25.0%
Dy
1.00 · 12.5%
Ho
1.00 · 12.5%
Sc
4.00 · 50.0%

Energy & Stability

Energy above hull
0.0647
eV/atom
Formation energy
0.0624
eV/atom
Corrected total energy
-43.5107
eV
Raw total energy
-43.5107
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0227
eV
DOS at Fermi level
10.8320
Total magnetisation
-0.0011
μB

Additional Information

Prototype ID

ABC2D4_449_spg10

Decomposition

Pm3DyHo4 Pm3Dy5 Pm Sc

Computed at

2022-07-19 21:58:49.375253

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: agm004863601).

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 agm004863601
data_agm004863601
_cell_length_a     3.44523
_cell_length_b     5.95999
_cell_length_c     11.18044
_cell_angle_alpha  79.80989
_cell_angle_beta   89.99972
_cell_angle_gamma  89.99981
_cell_volume       225.95296
_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
  Dy1 Dy 0.00000 0.49999 0.50000 1.00000
  Ho1 Ho 0.50000 0.50000 1.00000 1.00000
  Sc1 Sc 0.00000 0.74900 0.75025 1.00000
  Sc2 Sc 1.00000 0.25100 0.24975 1.00000
  Sc3 Sc 0.50000 0.74881 0.24989 1.00000
  Sc4 Sc 0.50000 0.25119 0.75010 1.00000
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