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SrTb(CoGe)4

Alexandria ALEX

Alex-ID: agm022015284 · Space group: P4/mmm (#123)

Basic Information

Formula
SrTb(CoGe)4
Alex-ID
agm022015284
Elements
4
Sites
10
Space group
P4/mmm (#123)
Crystal system
tetragonal
Volume
168.21
ų
Cell a
3.9937
Å
Cell b
3.9937
Å
Cell c
10.5463
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
SrTb(CoGe)4
Sr
1.00 · 10.0%
Tb
1.00 · 10.0%
Co
4.00 · 40.0%
Ge
4.00 · 40.0%

Energy & Stability

Energy above hull
0.0049
eV/atom
Formation energy
-0.5102
eV/atom
Corrected total energy
-58.3882
eV
Raw total energy
-58.3882
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
6.1719
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC4D4_26_spg123

Decomposition

Tb(CoGe)2 Sr(CoGe)2

Computed at

2025-01-04 03:18:55

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: agm022015284).

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 agm022015284
data_agm022015284
_cell_length_a     3.99372
_cell_length_b     3.99372
_cell_length_c     10.54627
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       168.21105
_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 0.50000 0.50000 0.00000 1.00000
  Tb1 Tb 0.00000 0.00000 0.50000 1.00000
  Co1 Co 0.50000 0.00000 0.26191 1.00000
  Co2 Co 0.00000 0.50000 0.73809 1.00000
  Co3 Co 0.00000 0.50000 0.26191 1.00000
  Co4 Co 0.50000 0.00000 0.73809 1.00000
  Ge1 Ge 0.00000 0.00000 0.14450 1.00000
  Ge2 Ge 0.50000 0.50000 0.62383 1.00000
  Ge3 Ge 0.50000 0.50000 0.37617 1.00000
  Ge4 Ge 0.00000 0.00000 0.85550 1.00000
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