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La4Tb2Y

Alexandria ALEX

Alex-ID: agm024864073 · Space group: C2/m (#12)

Basic Information

Formula
La4Tb2Y
Alex-ID
agm024864073
Elements
3
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
243.84
ų
Cell a
6.3640
Å
Cell b
6.3640
Å
Cell c
8.1139
Å
α angle
82.53
°
β angle
97.47
°
γ angle
131.44
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La4Tb2Y
La
4.00 · 57.1%
Tb
2.00 · 28.6%
Y
1.00 · 14.3%

Energy & Stability

Energy above hull
0.0308
eV/atom
Formation energy
0.0249
eV/atom
Corrected total energy
-35.2629
eV
Raw total energy
-35.2629
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
12.2096
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_154_spg12

Decomposition

LaTb La5Tb LaY2

Computed at

2025-06-05 07:23:52

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: agm024864073).

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 agm024864073
data_agm024864073
_cell_length_a     6.36402
_cell_length_b     6.36402
_cell_length_c     8.11394
_cell_angle_alpha  82.52918
_cell_angle_beta   97.47082
_cell_angle_gamma  131.43769
_cell_volume       243.83958
_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 0.42836 0.57164 0.28147 1.00000
  La2 La 0.57164 0.42836 0.71853 1.00000
  La3 La 0.85665 0.14335 0.56990 1.00000
  La4 La 0.14335 0.85665 0.43010 1.00000
  Tb1 Tb 0.28419 0.71581 0.86096 1.00000
  Tb2 Tb 0.71581 0.28419 0.13904 1.00000
  Y1 Y 0.00000 0.00000 0.00000 1.00000
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