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TbPm2

Alexandria ALEX

Alex-ID: agm016310364 · Space group: Cmcm (#63)

Basic Information

Formula
TbPm2
Alex-ID
agm016310364
Elements
2
Sites
6
Space group
Cmcm (#63)
Crystal system
orthorhombic
Volume
201.60
ų
Cell a
8.1035
Å
Cell b
8.1035
Å
Cell c
5.1193
Å
α angle
90.00
°
β angle
90.00
°
γ angle
143.15
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
TbPm2
Tb
2.00 · 33.3%
Pm
4.00 · 66.7%

Energy & Stability

Energy above hull
0.0193
eV/atom
Formation energy
0.0159
eV/atom
Corrected total energy
-28.1719
eV
Raw total energy
-28.1719
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0022
eV
DOS at Fermi level
8.2356
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2_932_spg5

Decomposition

Tb5Pm3 Pm

Computed at

2025-04-14 12:21:47

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: agm016310364).

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 agm016310364
data_agm016310364
_cell_length_a     8.10355
_cell_length_b     8.10355
_cell_length_c     5.11926
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  143.15275
_cell_volume       201.59513
_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 0.41740 0.58260 0.75000 1.00000
  Tb2 Tb 0.58260 0.41740 0.25000 1.00000
  Pm1 Pm 0.25026 0.74974 0.25000 1.00000
  Pm2 Pm 0.74974 0.25026 0.75000 1.00000
  Pm3 Pm 0.08292 0.91708 0.75000 1.00000
  Pm4 Pm 0.91708 0.08292 0.25000 1.00000
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