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Pm8Dy2Tm

Alexandria ALEX

Alex-ID: agm005877496 · Space group: C2/m (#12)

Basic Information

Formula
Pm8Dy2Tm
Alex-ID
agm005877496
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
376.77
ų
Cell a
8.5541
Å
Cell b
9.3137
Å
Cell c
9.3137
Å
α angle
42.66
°
β angle
51.91
°
γ angle
51.91
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pm8Dy2Tm
Pm
8.00 · 72.7%
Dy
2.00 · 18.2%
Tm
1.00 · 9.1%

Energy & Stability

Energy above hull
0.2079
eV/atom
Formation energy
0.2051
eV/atom
Corrected total energy
-49.4279
eV
Raw total energy
-49.4279
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
15.8149
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C8_1558_spg12

Decomposition

Pm3Dy5 Pm PmTm2

Computed at

2023-09-29 11:52:31

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: agm005877496).

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 agm005877496
data_agm005877496
_cell_length_a     8.55414
_cell_length_b     9.31372
_cell_length_c     9.31372
_cell_angle_alpha  42.66483
_cell_angle_beta   51.90671
_cell_angle_gamma  51.90705
_cell_volume       376.76981
_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 0.19843 0.34976 0.82993 1.00000
  Pm2 Pm 0.80158 0.17006 0.65023 1.00000
  Pm3 Pm 0.28766 0.74156 0.74156 1.00000
  Pm4 Pm 0.71234 0.25844 0.25844 1.00000
  Pm5 Pm 0.19842 0.82994 0.34977 1.00000
  Pm6 Pm 0.80157 0.65024 0.17007 1.00000
  Pm7 Pm 0.77460 0.60834 0.60834 1.00000
  Pm8 Pm 0.22540 0.39166 0.39166 1.00000
  Dy1 Dy 0.54258 0.85127 0.85127 1.00000
  Dy2 Dy 0.45742 0.14873 0.14873 1.00000
  Tm1 Tm 0.00000 0.00000 0.00000 1.00000
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