Navigation

HEAS Data Platform · Materials Science Database

Sr2MnTlGe

Alexandria ALEX

Alex-ID: agm001436612 · Space group: P4/mmm (#123)

Basic Information

Formula
Sr2MnTlGe
Alex-ID
agm001436612
Elements
4
Sites
5
Space group
P4/mmm (#123)
Crystal system
tetragonal
Volume
196.54
ų
Cell a
6.2102
Å
Cell b
5.0962
Å
Cell c
6.2102
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr2MnTlGe
Sr
2.00 · 40.0%
Tl
1.00 · 20.0%
Mn
1.00 · 20.0%
Ge
1.00 · 20.0%

Energy & Stability

Energy above hull
0.8936
eV/atom
Formation energy
0.4737
eV/atom
Corrected total energy
-17.1635
eV
Raw total energy
-17.1635
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.6368
Total magnetisation
2.7902
μB

Additional Information

Prototype ID

ABCD2_2_spg123

Decomposition

SrTl Mn SrGe

Computed at

2016-08-31 18:40:05

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: agm001436612).

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 agm001436612
data_agm001436612
_cell_length_a     6.21021
_cell_length_b     5.09620
_cell_length_c     6.21021
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       196.54393
_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 0.00000 0.00000 0.50000 1.00000
  Sr2 Sr 0.50000 0.00000 0.00000 1.00000
  Tl1 Tl 0.00000 0.00000 0.00000 1.00000
  Mn1 Mn 0.00000 0.50000 0.00000 1.00000
  Ge1 Ge 0.50000 0.50000 0.50000 1.00000
Get direct link