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La2TbPm4

Alexandria ALEX

Alex-ID: agm014046868 · Space group: R3m (#160)

Alexandria Database API

Basic Information

Formula
La2TbPm4
Alex-ID
agm014046868
Elements
3
Sites
7
Space group
R3m (#160)
Crystal system
trigonal
Volume
246.14
ų
Cell a
20.5242
Å
Cell b
20.5242
Å
Cell c
20.5242
Å
α angle
10.43
°
β angle
10.43
°
γ angle
10.43
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La2TbPm4
La
2.00 · 28.6%
Tb
1.00 · 14.3%
Pm
4.00 · 57.1%

Energy & Stability

Energy above hull
0.0458
eV/atom
Formation energy
0.0390
eV/atom
Corrected total energy
-33.2164
eV
Raw total energy
-33.2164
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
13.4397
Total magnetisation
0.0009
μB

Additional Information

Prototype ID

AB2C4_847_spg8

Decomposition

Tb5Pm3 Pm LaPm

Computed at

2025-06-18 21:36:24

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: agm014046868).

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 agm014046868
data_agm014046868
_cell_length_a     20.52415
_cell_length_b     20.52415
_cell_length_c     20.52415
_cell_angle_alpha  10.43163
_cell_angle_beta   10.43163
_cell_angle_gamma  10.43163
_cell_volume       246.13842
_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
  La1 La 0.37986 0.37986 0.37986 1.00000
  La2 La 0.28399 0.28399 0.28399 1.00000
  Tb1 Tb 0.18958 0.18958 0.18958 1.00000
  Pm1 Pm 0.09588 0.09588 0.09588 1.00000
  Pm2 Pm 0.56888 0.56888 0.56888 1.00000
  Pm3 Pm 0.99820 0.99820 0.99820 1.00000
  Pm4 Pm 0.47614 0.47614 0.47614 1.00000
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