Navigation

HEAS Data Platform · Materials Science Database

TbPm14Al

Alexandria ALEX

Alex-ID: agm005804963 · Space group: Amm2 (#38)

Basic Information

Formula
TbPm14Al
Alex-ID
agm005804963
Elements
3
Sites
16
Space group
Amm2 (#38)
Crystal system
orthorhombic
Volume
529.46
ų
Cell a
7.2758
Å
Cell b
7.2758
Å
Cell c
11.5421
Å
α angle
90.00
°
β angle
90.00
°
γ angle
119.94
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
TbPm14Al
Tb
1.00 · 6.3%
Pm
14.00 · 87.5%
Al
1.00 · 6.3%

Energy & Stability

Energy above hull
0.0481
eV/atom
Formation energy
-0.0038
eV/atom
Corrected total energy
-74.9471
eV
Raw total energy
-74.9471
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0050
eV
DOS at Fermi level
21.3596
Total magnetisation
0.0002
μB

Additional Information

Prototype ID

ABC14_7_spg38

Decomposition

Pm TbAl

Computed at

2023-07-18 13:48:30.145941

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: agm005804963).

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 agm005804963
data_agm005804963
_cell_length_a     7.27580
_cell_length_b     7.27580
_cell_length_c     11.54205
_cell_angle_alpha  90.00000
_cell_angle_beta   89.99999
_cell_angle_gamma  119.94063
_cell_volume       529.46203
_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 0.32709 0.67291 0.00000 1.00000
  Pm1 Pm 0.33612 0.66388 0.50000 1.00000
  Pm2 Pm 0.83296 0.16704 0.50000 1.00000
  Pm3 Pm 0.85130 0.67230 1.00000 1.00000
  Pm4 Pm 0.82545 0.66257 0.50000 1.00000
  Pm5 Pm 0.32770 0.14870 1.00000 1.00000
  Pm6 Pm 0.33743 0.17455 0.50000 1.00000
  Pm7 Pm 0.67086 0.84390 0.76764 1.00000
  Pm8 Pm 0.67086 0.84390 0.23236 1.00000
  Pm9 Pm 0.15610 0.32914 0.76764 1.00000
  Pm10 Pm 0.15610 0.32914 0.23236 1.00000
  Pm11 Pm 0.16662 0.83338 0.73994 1.00000
  Pm12 Pm 0.16662 0.83338 0.26006 1.00000
  Pm13 Pm 0.67102 0.32898 0.76543 1.00000
  Pm14 Pm 0.67102 0.32898 0.23457 1.00000
  Al1 Al 0.83274 0.16726 1.00000 1.00000
Get direct link