Navigation

HEAS Data Platform · Materials Science Database

TbPmSmTm

Alexandria ALEX

Alex-ID: agm005179092 · Space group: Cm (#8)

Basic Information

Formula
TbPmSmTm
Alex-ID
agm005179092
Elements
4
Sites
4
Space group
Cm (#8)
Crystal system
monoclinic
Volume
130.85
ų
Cell a
3.7320
Å
Cell b
5.8800
Å
Cell c
6.9124
Å
α angle
115.17
°
β angle
74.12
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
TbPmSmTm
Tb
1.00 · 25.0%
Pm
1.00 · 25.0%
Sm
1.00 · 25.0%
Tm
1.00 · 25.0%

Energy & Stability

Energy above hull
0.1394
eV/atom
Formation energy
0.1151
eV/atom
Corrected total energy
-18.1176
eV
Raw total energy
-18.1176
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0197
eV
DOS at Fermi level
7.4267
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABCD_222_spg8

Decomposition

Tb5Tm4 Tb5Pm3 Pm2Sm3Tm TbTm5

Computed at

2022-07-10 16:39:13.840804

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: agm005179092).

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 agm005179092
data_agm005179092
_cell_length_a     3.73196
_cell_length_b     5.87998
_cell_length_c     6.91238
_cell_angle_alpha  115.17106
_cell_angle_beta   74.11616
_cell_angle_gamma  90.00000
_cell_volume       130.85309
_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 0.69519 0.38081 0.76162 1.00000
  Pm1 Pm 0.89862 0.63805 0.27610 1.00000
  Sm1 Sm 0.17894 0.90247 0.80494 1.00000
  Tm1 Tm 0.41315 0.14333 0.28666 1.00000
Get direct link