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PmHoTm

Alexandria ALEX

Alex-ID: agm017255001 · Space group: P4/nmm (#129)

Basic Information

Formula
PmHoTm
Alex-ID
agm017255001
Elements
3
Sites
6
Space group
P4/nmm (#129)
Crystal system
tetragonal
Volume
190.63
ų
Cell a
3.5565
Å
Cell b
3.5565
Å
Cell c
15.0717
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
PmHoTm
Pm
2.00 · 33.3%
Ho
2.00 · 33.3%
Tm
2.00 · 33.3%

Energy & Stability

Energy above hull
0.0308
eV/atom
Formation energy
0.0241
eV/atom
Corrected total energy
-27.4564
eV
Raw total energy
-27.4564
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0029
eV
DOS at Fermi level
7.9473
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC_168_spg139

Decomposition

HoTm5 Pm3Ho5 PmTm2

Computed at

2025-04-16 17:06:45

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: agm017255001).

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 agm017255001
data_agm017255001
_cell_length_a     3.55646
_cell_length_b     3.55646
_cell_length_c     15.07169
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       190.63235
_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 0.00000 0.24872 1.00000
  Pm2 Pm 0.00000 0.50000 0.75128 1.00000
  Ho1 Ho 0.50000 0.00000 0.58237 1.00000
  Ho2 Ho 0.00000 0.50000 0.41763 1.00000
  Tm1 Tm 0.00000 0.50000 0.08077 1.00000
  Tm2 Tm 0.50000 0.00000 0.91923 1.00000
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