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Tb(Y3Ge4)2

Alexandria ALEX

Alex-ID: agm072984243 · Space group: P-1 (#2)

Basic Information

Formula
Tb(Y3Ge4)2
Alex-ID
agm072984243
Elements
3
Sites
15
Space group
P-1 (#2)
Crystal system
triclinic
Volume
360.27
ų
Cell a
7.4676
Å
Cell b
7.7932
Å
Cell c
7.5963
Å
α angle
66.47
°
β angle
68.04
°
γ angle
66.92
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb(Y3Ge4)2
Tb
1.00 · 6.7%
Y
6.00 · 40.0%
Ge
8.00 · 53.3%

Energy & Stability

Energy above hull
0.2053
eV/atom
Formation energy
-0.6497
eV/atom
Corrected total energy
-90.0951
eV
Raw total energy
-90.0951
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
8.4402
Total magnetisation
0.0002
μB

Additional Information

Prototype ID

AB6C8_45_spg148

Decomposition

TbY3Ge4 Y3Ge4

Computed at

2024-10-06 08:12:28.445367

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: agm072984243).

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 agm072984243
data_agm072984243
_cell_length_a     7.46761
_cell_length_b     7.79325
_cell_length_c     7.59626
_cell_angle_alpha  66.46859
_cell_angle_beta   68.03725
_cell_angle_gamma  66.92163
_cell_volume       360.26853
_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 0.00000 0.00000 0.00000 1.00000
  Y1 Y 0.59602 0.34576 0.83124 1.00000
  Y2 Y 0.31862 0.84171 0.58655 1.00000
  Y3 Y 0.82748 0.59816 0.33582 1.00000
  Y4 Y 0.40398 0.65424 0.16876 1.00000
  Y5 Y 0.68138 0.15829 0.41345 1.00000
  Y6 Y 0.17252 0.40184 0.66418 1.00000
  Ge1 Ge 0.70734 0.71644 0.71360 1.00000
  Ge2 Ge 0.29266 0.28356 0.28640 1.00000
  Ge3 Ge 0.55468 0.98256 0.16479 1.00000
  Ge4 Ge 0.97346 0.19314 0.57053 1.00000
  Ge5 Ge 0.16160 0.56792 0.97147 1.00000
  Ge6 Ge 0.44532 0.01744 0.83521 1.00000
  Ge7 Ge 0.02654 0.80686 0.42947 1.00000
  Ge8 Ge 0.83840 0.43208 0.02853 1.00000
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