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La(Tb3Ge4)2

Alexandria ALEX

Alex-ID: agm072829975 · Space group: P-1 (#2)

Basic Information

Formula
La(Tb3Ge4)2
Alex-ID
agm072829975
Elements
3
Sites
15
Space group
P-1 (#2)
Crystal system
triclinic
Volume
359.59
ų
Cell a
7.1150
Å
Cell b
7.1726
Å
Cell c
7.6301
Å
α angle
70.35
°
β angle
81.05
°
γ angle
80.51
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La(Tb3Ge4)2
La
1.00 · 6.7%
Tb
6.00 · 40.0%
Ge
8.00 · 53.3%

Energy & Stability

Energy above hull
0.1581
eV/atom
Formation energy
-0.6885
eV/atom
Corrected total energy
-79.9878
eV
Raw total energy
-79.9878
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
10.0065
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB6C8_212_spg147

Decomposition

Tb3Ge4 La3Ge5 TbGe

Computed at

2024-10-06 07:49:36.527638

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: agm072829975).

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 agm072829975
data_agm072829975
_cell_length_a     7.11496
_cell_length_b     7.17264
_cell_length_c     7.63008
_cell_angle_alpha  70.35053
_cell_angle_beta   81.05474
_cell_angle_gamma  80.50747
_cell_volume       359.58686
_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 0.00000 0.00000 0.00000 1.00000
  Tb1 Tb 0.26753 0.97973 0.44027 1.00000
  Tb2 Tb 0.89923 0.42164 0.21419 1.00000
  Tb3 Tb 0.63101 0.48097 0.73166 1.00000
  Tb4 Tb 0.73247 0.02027 0.55973 1.00000
  Tb5 Tb 0.10077 0.57836 0.78581 1.00000
  Tb6 Tb 0.36899 0.51903 0.26834 1.00000
  Ge1 Ge 0.71070 0.74276 0.94290 1.00000
  Ge2 Ge 0.28930 0.25724 0.05710 1.00000
  Ge3 Ge 0.01291 0.29154 0.58969 1.00000
  Ge4 Ge 0.37733 0.82220 0.83611 1.00000
  Ge5 Ge 0.63788 0.77636 0.31023 1.00000
  Ge6 Ge 0.98709 0.70846 0.41031 1.00000
  Ge7 Ge 0.62267 0.17780 0.16389 1.00000
  Ge8 Ge 0.36212 0.22364 0.68977 1.00000
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