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Pm4Dy9Tm11

Alexandria ALEX

Alex-ID: agm005752564 · Space group: Cmmm (#65)

Alexandria Database API

Basic Information

Formula
Pm4Dy9Tm11
Alex-ID
agm005752564
Elements
3
Sites
24
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
751.09
ų
Cell a
3.5154
Å
Cell b
14.6224
Å
Cell c
14.6224
Å
α angle
92.22
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pm4Dy9Tm11
Pm
4.00 · 16.7%
Dy
9.00 · 37.5%
Tm
11.00 · 45.8%

Energy & Stability

Energy above hull
0.0639
eV/atom
Formation energy
0.0567
eV/atom
Corrected total energy
-108.2608
eV
Raw total energy
-108.2608
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0002
eV
DOS at Fermi level
34.7067
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A4B9C11_10_spg65

Decomposition

Pm2Dy7 DyTm5 Pm3Dy5

Computed at

2023-07-11 04:57:32.191894

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: agm005752564).

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 agm005752564
data_agm005752564
_cell_length_a     3.51543
_cell_length_b     14.62242
_cell_length_c     14.62242
_cell_angle_alpha  92.22346
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       751.08699
_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 0.54815 0.72156 1.00000
  Pm2 Pm 0.50000 0.45185 0.27844 1.00000
  Pm3 Pm 0.50000 0.72156 0.54815 1.00000
  Pm4 Pm 0.50000 0.27844 0.45185 1.00000
  Dy1 Dy 0.50000 0.62437 0.12871 1.00000
  Dy2 Dy 0.50000 0.37563 0.87129 1.00000
  Dy3 Dy 0.50000 0.12871 0.62437 1.00000
  Dy4 Dy 0.50000 0.87129 0.37563 1.00000
  Dy5 Dy 0.50000 0.79378 0.96248 1.00000
  Dy6 Dy 0.50000 0.20622 0.03752 1.00000
  Dy7 Dy 0.50000 0.96248 0.79378 1.00000
  Dy8 Dy 0.50000 0.03752 0.20622 1.00000
  Dy9 Dy 0.50000 0.50000 0.50000 1.00000
  Tm1 Tm 0.00000 0.58518 0.92234 1.00000
  Tm2 Tm 0.00000 0.41482 0.07766 1.00000
  Tm3 Tm 0.00000 0.92234 0.58518 1.00000
  Tm4 Tm 0.00000 0.07766 0.41482 1.00000
  Tm5 Tm 0.00000 0.65902 0.34098 1.00000
  Tm6 Tm 0.00000 0.34098 0.65902 1.00000
  Tm7 Tm 0.00000 0.83154 0.16846 1.00000
  Tm8 Tm 0.00000 0.16846 0.83154 1.00000
  Tm9 Tm 0.00000 0.00000 0.00000 1.00000
  Tm10 Tm 0.00000 0.75735 0.75735 1.00000
  Tm11 Tm 0.00000 0.24265 0.24265 1.00000
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