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Tb4Pm

Alexandria ALEX

Alex-ID: agm008048044 · Space group: I4/m (#87)

Basic Information

Formula
Tb4Pm
Alex-ID
agm008048044
Elements
2
Sites
5
Space group
I4/m (#87)
Crystal system
tetragonal
Volume
161.88
ų
Cell a
6.1957
Å
Cell b
6.1957
Å
Cell c
6.1957
Å
α angle
99.60
°
β angle
99.60
°
γ angle
131.78
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb4Pm
Tb
4.00 · 80.0%
Pm
1.00 · 20.0%

Energy & Stability

Energy above hull
0.0199
eV/atom
Formation energy
0.0165
eV/atom
Corrected total energy
-23.1974
eV
Raw total energy
-23.1974
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
6.6304
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4_253_spg8

Decomposition

Tb5Pm3 Tb

Computed at

2025-04-14 12:24:35

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: agm008048044).

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 agm008048044
data_agm008048044
_cell_length_a     6.19575
_cell_length_b     6.19575
_cell_length_c     6.19575
_cell_angle_alpha  99.60462
_cell_angle_beta   99.60462
_cell_angle_gamma  131.78241
_cell_volume       161.88102
_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 0.80027 0.40077 0.20104 1.00000
  Tb2 Tb 0.40077 0.19973 0.60050 1.00000
  Tb3 Tb 0.19973 0.59923 0.79896 1.00000
  Tb4 Tb 0.59923 0.80027 0.39950 1.00000
  Pm1 Pm 0.00000 0.00000 0.00000 1.00000
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