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Sr8TbGa4

Alexandria ALEX

Alex-ID: agm097779585 · Space group: Pm (#6)

Basic Information

Formula
Sr8TbGa4
Alex-ID
agm097779585
Elements
3
Sites
13
Space group
Pm (#6)
Crystal system
monoclinic
Volume
510.79
ų
Cell a
4.1028
Å
Cell b
12.0584
Å
Cell c
12.5446
Å
α angle
55.39
°
β angle
89.99
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr8TbGa4
Sr
8.00 · 61.5%
Tb
1.00 · 7.7%
Ga
4.00 · 30.8%

Energy & Stability

Energy above hull
0.2055
eV/atom
Formation energy
-0.0894
eV/atom
Corrected total energy
-31.4276
eV
Raw total energy
-31.4276
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
14.8642
Total magnetisation
0.0016
μB

Additional Information

Prototype ID

AB4C8_1386_spg8

Decomposition

TbGa Sr8Ga7 Sr

Computed at

2025-06-15 12:14:58

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: agm097779585).

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 agm097779585
data_agm097779585
_cell_length_a     4.10276
_cell_length_b     12.05841
_cell_length_c     12.54461
_cell_angle_alpha  55.38950
_cell_angle_beta   89.99400
_cell_angle_gamma  90.00186
_cell_volume       510.78695
_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
  Sr1 Sr 0.34552 0.23186 0.15041 1.00000
  Sr2 Sr 0.84610 0.69547 0.16500 1.00000
  Sr3 Sr 0.84631 0.73109 0.60325 1.00000
  Sr4 Sr 0.84610 0.02683 0.66212 1.00000
  Sr5 Sr 0.34646 0.85976 0.29427 1.00000
  Sr6 Sr 0.34593 0.36161 0.39630 1.00000
  Sr7 Sr 0.34689 0.35387 0.73641 1.00000
  Sr8 Sr 0.34590 0.65155 0.92263 1.00000
  Tb1 Tb 0.34599 0.99129 0.94050 1.00000
  Ga1 Ga 0.84592 0.09994 0.02428 1.00000
  Ga2 Ga 0.84564 0.44217 0.15071 1.00000
  Ga3 Ga 0.84690 0.55627 0.47727 1.00000
  Ga4 Ga 0.34631 0.99829 0.47687 1.00000
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