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Tb7Pm2

Alexandria ALEX

Alex-ID: agm009441983 · Space group: C2/m (#12)

Basic Information

Formula
Tb7Pm2
Alex-ID
agm009441983
Elements
2
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
291.74
ų
Cell a
6.1997
Å
Cell b
6.1997
Å
Cell c
10.7403
Å
α angle
73.23
°
β angle
73.23
°
γ angle
48.15
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb7Pm2
Tb
7.00 · 77.8%
Pm
2.00 · 22.2%

Energy & Stability

Energy above hull
0.0197
eV/atom
Formation energy
0.0159
eV/atom
Corrected total energy
-41.7846
eV
Raw total energy
-41.7846
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
10.6435
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B7_160_spg2

Decomposition

Tb5Pm3 Tb

Computed at

2024-05-05 06:04:02.671173

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: agm009441983).

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 agm009441983
data_agm009441983
_cell_length_a     6.19968
_cell_length_b     6.19968
_cell_length_c     10.74026
_cell_angle_alpha  73.23336
_cell_angle_beta   73.23336
_cell_angle_gamma  48.14799
_cell_volume       291.74097
_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 0.33236 0.33236 0.88993 1.00000
  Tb2 Tb 0.66764 0.66764 0.11007 1.00000
  Tb3 Tb 0.66704 0.66704 0.44431 1.00000
  Tb4 Tb 0.33296 0.33296 0.55569 1.00000
  Tb5 Tb 0.00000 0.00000 0.00000 1.00000
  Tb6 Tb 0.33344 0.33344 0.22139 1.00000
  Tb7 Tb 0.66656 0.66656 0.77861 1.00000
  Pm1 Pm 0.00032 0.00032 0.33210 1.00000
  Pm2 Pm 0.99968 0.99968 0.66790 1.00000
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