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Tb5Pm3Ho2

Alexandria ALEX

Alex-ID: agm005604240 · Space group: C2/c (#15)

Alexandria Database API

Basic Information

Formula
Tb5Pm3Ho2
Alex-ID
agm005604240
Elements
3
Sites
20
Space group
C2/c (#15)
Crystal system
monoclinic
Volume
666.64
ų
Cell a
9.5217
Å
Cell b
9.4785
Å
Cell c
11.1416
Å
α angle
125.42
°
β angle
125.51
°
γ angle
68.85
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb5Pm3Ho2
Tb
10.00 · 50.0%
Pm
6.00 · 30.0%
Ho
4.00 · 20.0%

Energy & Stability

Energy above hull
0.2011
eV/atom
Formation energy
0.1946
eV/atom
Corrected total energy
-89.2483
eV
Raw total energy
-89.2483
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0037
eV
DOS at Fermi level
36.4879
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C5_183_spg15

Decomposition

TbPmHo4 Tb2Ho Tb5Pm3

Computed at

2023-06-25 02:54:50.826120

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: agm005604240).

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 agm005604240
data_agm005604240
_cell_length_a     9.52166
_cell_length_b     9.47851
_cell_length_c     11.14156
_cell_angle_alpha  125.41858
_cell_angle_beta   125.50565
_cell_angle_gamma  68.84971
_cell_volume       666.63837
_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
  Tb1 Tb 0.27239 0.52239 0.04477 1.00000
  Tb2 Tb 0.72761 0.47761 0.95523 1.00000
  Tb3 Tb 0.02522 0.77522 0.55044 1.00000
  Tb4 Tb 0.53042 0.28042 0.56083 1.00000
  Tb5 Tb 0.97478 0.22478 0.44956 1.00000
  Tb6 Tb 0.46958 0.71958 0.43917 1.00000
  Tb7 Tb 0.84927 0.60219 0.72979 1.00000
  Tb8 Tb 0.15073 0.39781 0.27021 1.00000
  Tb9 Tb 0.38053 0.12761 0.72979 1.00000
  Tb10 Tb 0.61947 0.87239 0.27021 1.00000
  Pm1 Pm 0.23319 0.98319 0.96638 1.00000
  Pm2 Pm 0.76681 0.01681 0.03362 1.00000
  Pm3 Pm 0.73303 0.47115 0.25044 1.00000
  Pm4 Pm 0.26697 0.52885 0.74956 1.00000
  Pm5 Pm 0.01741 0.77929 0.25044 1.00000
  Pm6 Pm 0.98259 0.22071 0.74956 1.00000
  Ho1 Ho 0.77313 0.00994 0.73646 1.00000
  Ho2 Ho 0.22687 0.99006 0.26354 1.00000
  Ho3 Ho 0.46333 0.72652 0.73646 1.00000
  Ho4 Ho 0.53667 0.27348 0.26354 1.00000
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