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Sr2Co2Sn2N

Alexandria ALEX

Alex-ID: agm017157554 · Space group: C2/m (#12)

Alexandria Database API

Basic Information

Formula
Sr2Co2Sn2N
Alex-ID
agm017157554
Elements
4
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
152.23
ų
Cell a
6.1520
Å
Cell b
6.1520
Å
Cell c
7.5992
Å
α angle
56.61
°
β angle
56.61
°
γ angle
40.84
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr2Co2Sn2N
Sr
2.00 · 28.6%
Co
2.00 · 28.6%
Sn
2.00 · 28.6%
N
1.00 · 14.3%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.5179
eV/atom
Corrected total energy
-37.2102
eV
Raw total energy
-37.2102
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.1440
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2D2_13_spg12

Decomposition

Sr2Co2Sn2N

Computed at

2024-07-22 04:04:00.062214

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: agm017157554).

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 agm017157554
data_agm017157554
_cell_length_a     6.15196
_cell_length_b     6.15196
_cell_length_c     7.59924
_cell_angle_alpha  56.61122
_cell_angle_beta   56.61122
_cell_angle_gamma  40.83638
_cell_volume       152.22649
_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 0.44071 0.44071 0.32435 1.00000
  Sr2 Sr 0.55929 0.55929 0.67565 1.00000
  Co1 Co 0.82927 0.82927 0.73443 1.00000
  Co2 Co 0.17073 0.17073 0.26557 1.00000
  Sn1 Sn 0.81617 0.81617 0.09637 1.00000
  Sn2 Sn 0.18383 0.18383 0.90363 1.00000
  N1 N 0.00000 0.00000 0.50000 1.00000
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