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TbPm4Np

Alexandria ALEX

Alex-ID: agm070138804 · Space group: C2/m (#12)

Basic Information

Formula
TbPm4Np
Alex-ID
agm070138804
Elements
3
Sites
6
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
193.57
ų
Cell a
8.0390
Å
Cell b
8.0390
Å
Cell c
7.2152
Å
α angle
76.95
°
β angle
103.05
°
γ angle
154.74
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
TbPm4Np
Tb
1.00 · 16.7%
Pm
4.00 · 66.7%
Np
1.00 · 16.7%

Energy & Stability

Energy above hull
0.2278
eV/atom
Formation energy
0.2261
eV/atom
Corrected total energy
-35.2189
eV
Raw total energy
-35.2189
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0066
eV
DOS at Fermi level
15.0195
Total magnetisation
4.6077
μB

Additional Information

Prototype ID

ABC4_634_spg8

Decomposition

Tb5Pm3 Pm Np

Computed at

2025-04-16 17:12:50

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: agm070138804).

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 agm070138804
data_agm070138804
_cell_length_a     8.03900
_cell_length_b     8.03900
_cell_length_c     7.21518
_cell_angle_alpha  76.95068
_cell_angle_beta   103.04932
_cell_angle_gamma  154.74049
_cell_volume       193.57277
_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 0.00000 0.00000 0.50000 1.00000
  Pm1 Pm 0.65999 0.34001 0.83707 1.00000
  Pm2 Pm 0.34001 0.65999 0.16293 1.00000
  Pm3 Pm 0.66118 0.33882 0.32397 1.00000
  Pm4 Pm 0.33882 0.66118 0.67603 1.00000
  Np1 Np 0.00000 0.00000 0.00000 1.00000
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