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Sr2Ge2Os2N

Alexandria ALEX

Alex-ID: agm025851658 · Space group: C2/m (#12)

Basic Information

Formula
Sr2Ge2Os2N
Alex-ID
agm025851658
Elements
4
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
143.60
ų
Cell a
6.1284
Å
Cell b
6.1284
Å
Cell c
7.4222
Å
α angle
56.55
°
β angle
123.45
°
γ angle
140.55
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr2Ge2Os2N
Sr
2.00 · 28.6%
Ge
2.00 · 28.6%
Os
2.00 · 28.6%
N
1.00 · 14.3%

Energy & Stability

Energy above hull
0.0051
eV/atom
Formation energy
-0.4895
eV/atom
Corrected total energy
-46.4526
eV
Raw total energy
-46.4526
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.2167
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2D2_46_spg12

Decomposition

Sr3(GeN)2 SrGe2 Os

Computed at

2025-05-24 15:27:49

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: agm025851658).

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 agm025851658
data_agm025851658
_cell_length_a     6.12840
_cell_length_b     6.12840
_cell_length_c     7.42218
_cell_angle_alpha  56.55443
_cell_angle_beta   123.44557
_cell_angle_gamma  140.54775
_cell_volume       143.59532
_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 0.43916 0.56084 0.69685 1.00000
  Sr2 Sr 0.56084 0.43916 0.30315 1.00000
  Ge1 Ge 0.82066 0.17934 0.27241 1.00000
  Ge2 Ge 0.17934 0.82066 0.72759 1.00000
  Os1 Os 0.81591 0.18409 0.93090 1.00000
  Os2 Os 0.18409 0.81591 0.06910 1.00000
  N1 N 0.00000 0.00000 0.00000 1.00000
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