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Pm4Dy3Sb4

Alexandria ALEX

Alex-ID: agm003379482 · Space group: Immm (#71)

Basic Information

Formula
Pm4Dy3Sb4
Alex-ID
agm003379482
Elements
3
Sites
11
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
328.92
ų
Cell a
4.0493
Å
Cell b
9.0851
Å
Cell c
10.2311
Å
α angle
116.36
°
β angle
101.41
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pm4Dy3Sb4
Pm
4.00 · 36.4%
Dy
3.00 · 27.3%
Sb
4.00 · 36.4%

Energy & Stability

Energy above hull
0.1460
eV/atom
Formation energy
-0.7807
eV/atom
Corrected total energy
-57.8905
eV
Raw total energy
-57.8905
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0005
eV
DOS at Fermi level
12.1286
Total magnetisation
0.0066
μB

Additional Information

Prototype ID

A3B4C4_84_spg71

Decomposition

Pm3Dy2Sb3 Dy

Computed at

2022-02-09 06:22:30.347125

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: agm003379482).

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 agm003379482
data_agm003379482
_cell_length_a     4.04930
_cell_length_b     9.08510
_cell_length_c     10.23106
_cell_angle_alpha  116.35913
_cell_angle_beta   101.41373
_cell_angle_gamma  90.00000
_cell_volume       328.92229
_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 0.33170 0.15712 0.66340 1.00000
  Pm2 Pm 0.66830 0.49372 0.33660 1.00000
  Pm3 Pm 0.66830 0.84288 0.33660 1.00000
  Pm4 Pm 0.33170 0.50628 0.66340 1.00000
  Dy1 Dy 0.09580 0.09580 0.19161 1.00000
  Dy2 Dy 0.90420 0.90420 0.80839 1.00000
  Dy3 Dy 0.00000 0.50000 0.00000 1.00000
  Sb1 Sb 0.27329 0.77329 0.54658 1.00000
  Sb2 Sb 0.72671 0.22671 0.45342 1.00000
  Sb3 Sb 0.50000 0.78901 0.00000 1.00000
  Sb4 Sb 0.50000 0.21099 1.00000 1.00000
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