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Sr2Co4GeAs3

Alexandria ALEX

Alex-ID: agm041271007 · Space group: P4mm (#99)

Basic Information

Formula
Sr2Co4GeAs3
Alex-ID
agm041271007
Elements
4
Sites
10
Space group
P4mm (#99)
Crystal system
tetragonal
Volume
180.66
ų
Cell a
4.0648
Å
Cell b
4.0648
Å
Cell c
10.9342
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr2Co4GeAs3
Sr
2.00 · 20.0%
Co
4.00 · 40.0%
Ge
1.00 · 10.0%
As
3.00 · 30.0%

Energy & Stability

Energy above hull
0.0065
eV/atom
Formation energy
-0.5618
eV/atom
Corrected total energy
-56.0585
eV
Raw total energy
-56.0585
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0200
eV
DOS at Fermi level
5.1746
Total magnetisation
2.4168
μB

Additional Information

Prototype ID

AB2C3D4_66_spg1

Decomposition

Sr4As3 CoGe Sr(CoAs)2 Co

Computed at

2024-10-26 14:53:30.064841

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: agm041271007).

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 agm041271007
data_agm041271007
_cell_length_a     4.06481
_cell_length_b     4.06481
_cell_length_c     10.93424
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       180.66326
_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 0.99905 1.00000
  Sr2 Sr 0.00000 0.00000 0.49906 1.00000
  Co1 Co 0.50000 0.00000 0.24781 1.00000
  Co2 Co 0.00000 0.50000 0.75292 1.00000
  Co3 Co 0.00000 0.50000 0.24781 1.00000
  Co4 Co 0.50000 0.00000 0.75292 1.00000
  Ge1 Ge 0.00000 0.00000 0.14236 1.00000
  As1 As 0.50000 0.50000 0.64640 1.00000
  As2 As 0.50000 0.50000 0.35097 1.00000
  As3 As 0.00000 0.00000 0.86069 1.00000
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