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Tb2PmTe2

Alexandria ALEX

Alex-ID: agm003398537 · Space group: C2/m (#12)

Basic Information

Formula
Tb2PmTe2
Alex-ID
agm003398537
Elements
3
Sites
5
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
154.83
ų
Cell a
4.6876
Å
Cell b
4.6876
Å
Cell c
7.4102
Å
α angle
78.80
°
β angle
78.80
°
γ angle
79.32
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb2PmTe2
Tb
2.00 · 40.0%
Pm
1.00 · 20.0%
Te
2.00 · 40.0%

Energy & Stability

Energy above hull
0.3139
eV/atom
Formation energy
-0.7937
eV/atom
Corrected total energy
-24.2671
eV
Raw total energy
-24.2671
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.1638
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2_65_spg12

Decomposition

Tb3Te2 PmTe Tb

Computed at

2022-02-12 01:28:24.669119

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: agm003398537).

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 agm003398537
data_agm003398537
_cell_length_a     4.68755
_cell_length_b     4.68755
_cell_length_c     7.41022
_cell_angle_alpha  78.80094
_cell_angle_beta   78.80094
_cell_angle_gamma  79.31847
_cell_volume       154.82899
_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 0.24757 0.75243 0.50000 1.00000
  Tb2 Tb 0.75243 0.24757 0.50000 1.00000
  Pm1 Pm 0.00000 0.00000 0.00000 1.00000
  Te1 Te 0.32669 0.32669 0.20951 1.00000
  Te2 Te 0.67331 0.67331 0.79049 1.00000
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