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Pm6Dy5Ho2

Alexandria ALEX

Alex-ID: agm005671996 · Space group: Pbam (#55)

Basic Information

Formula
Pm6Dy5Ho2
Alex-ID
agm005671996
Elements
3
Sites
26
Space group
Pbam (#55)
Crystal system
orthorhombic
Volume
865.28
ų
Cell a
3.6104
Å
Cell b
11.6837
Å
Cell c
20.5128
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pm6Dy5Ho2
Pm
12.00 · 46.2%
Dy
10.00 · 38.5%
Ho
4.00 · 15.4%

Energy & Stability

Energy above hull
0.1058
eV/atom
Formation energy
0.1008
eV/atom
Corrected total energy
-118.7380
eV
Raw total energy
-118.7380
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
30.2084
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B5C6_66_spg55

Decomposition

Pm3DyHo4 Pm3Dy5 Pm

Computed at

2023-06-20 11:45:21.177296

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: agm005671996).

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 agm005671996
data_agm005671996
_cell_length_a     3.61037
_cell_length_b     11.68372
_cell_length_c     20.51280
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       865.28316
_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 0.08265 0.36728 1.00000
  Pm2 Pm 0.00000 0.91735 0.63272 1.00000
  Pm3 Pm 0.00000 0.58265 0.13272 1.00000
  Pm4 Pm 0.00000 0.41735 0.86728 1.00000
  Pm5 Pm 0.50000 0.32669 0.13518 1.00000
  Pm6 Pm 0.50000 0.67331 0.86482 1.00000
  Pm7 Pm 0.50000 0.82669 0.36482 1.00000
  Pm8 Pm 0.50000 0.17331 0.63518 1.00000
  Pm9 Pm 0.00000 0.56035 0.41980 1.00000
  Pm10 Pm 0.00000 0.43965 0.58020 1.00000
  Pm11 Pm 0.00000 0.06035 0.08020 1.00000
  Pm12 Pm 0.00000 0.93965 0.91980 1.00000
  Dy1 Dy 0.50000 0.30179 0.44509 1.00000
  Dy2 Dy 0.50000 0.69821 0.55491 1.00000
  Dy3 Dy 0.50000 0.80179 0.05491 1.00000
  Dy4 Dy 0.50000 0.19821 0.94509 1.00000
  Dy5 Dy 0.50000 0.59151 0.27370 1.00000
  Dy6 Dy 0.50000 0.40849 0.72630 1.00000
  Dy7 Dy 0.50000 0.09151 0.22630 1.00000
  Dy8 Dy 0.50000 0.90849 0.77370 1.00000
  Dy9 Dy 0.50000 0.50000 0.00000 1.00000
  Dy10 Dy 0.50000 0.00000 0.50000 1.00000
  Ho1 Ho 0.00000 0.33328 0.28947 1.00000
  Ho2 Ho 0.00000 0.66672 0.71053 1.00000
  Ho3 Ho 0.00000 0.83328 0.21053 1.00000
  Ho4 Ho 0.00000 0.16672 0.78947 1.00000
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