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SrCoSn8

Alexandria ALEX

Alex-ID: agm071473486 · Space group: P4_332 (#212)

Basic Information

Formula
SrCoSn8
Alex-ID
agm071473486
Elements
3
Sites
40
Space group
P4_332 (#212)
Crystal system
cubic
Volume
1,042.77
ų
Cell a
10.1406
Å
Cell b
10.1406
Å
Cell c
10.1406
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
SrCoSn8
Sr
4.00 · 10.0%
Co
4.00 · 10.0%
Sn
32.00 · 80.0%

Energy & Stability

Energy above hull
0.0769
eV/atom
Formation energy
-0.1064
eV/atom
Corrected total energy
-167.6014
eV
Raw total energy
-167.6014
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0147
eV
DOS at Fermi level
19.1342
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC8_325_spg212

Decomposition

CoSn3 SrSn3 Sn

Computed at

2024-09-09 22:07:10.936980

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: agm071473486).

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 agm071473486
data_agm071473486
_cell_length_a     10.14058
_cell_length_b     10.14058
_cell_length_c     10.14058
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       1042.76927
_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 0.12500 0.12500 0.12500 1.00000
  Sr2 Sr 0.37500 0.87500 0.62500 1.00000
  Sr3 Sr 0.87500 0.62500 0.37500 1.00000
  Sr4 Sr 0.62500 0.37500 0.87500 1.00000
  Co1 Co 0.62500 0.62500 0.62500 1.00000
  Co2 Co 0.87500 0.37500 0.12500 1.00000
  Co3 Co 0.37500 0.12500 0.87500 1.00000
  Co4 Co 0.12500 0.87500 0.37500 1.00000
  Sn1 Sn 0.41343 0.21890 0.63583 1.00000
  Sn2 Sn 0.08657 0.78110 0.13583 1.00000
  Sn3 Sn 0.58657 0.71890 0.86417 1.00000
  Sn4 Sn 0.91343 0.28110 0.36417 1.00000
  Sn5 Sn 0.63583 0.41343 0.21890 1.00000
  Sn6 Sn 0.13583 0.08657 0.78110 1.00000
  Sn7 Sn 0.86417 0.58657 0.71890 1.00000
  Sn8 Sn 0.36417 0.91343 0.28110 1.00000
  Sn9 Sn 0.21890 0.63583 0.41343 1.00000
  Sn10 Sn 0.78110 0.13583 0.08657 1.00000
  Sn11 Sn 0.71890 0.86417 0.58657 1.00000
  Sn12 Sn 0.28110 0.36417 0.91343 1.00000
  Sn13 Sn 0.46890 0.16343 0.11417 1.00000
  Sn14 Sn 0.03110 0.83657 0.61417 1.00000
  Sn15 Sn 0.96890 0.33657 0.88583 1.00000
  Sn16 Sn 0.53110 0.66343 0.38583 1.00000
  Sn17 Sn 0.66343 0.38583 0.53110 1.00000
  Sn18 Sn 0.33657 0.88583 0.96890 1.00000
  Sn19 Sn 0.83657 0.61417 0.03110 1.00000
  Sn20 Sn 0.16343 0.11417 0.46890 1.00000
  Sn21 Sn 0.88583 0.96890 0.33657 1.00000
  Sn22 Sn 0.38583 0.53110 0.66343 1.00000
  Sn23 Sn 0.11417 0.46890 0.16343 1.00000
  Sn24 Sn 0.61417 0.03110 0.83657 1.00000
  Sn25 Sn 0.90975 0.90975 0.90975 1.00000
  Sn26 Sn 0.59025 0.09025 0.40975 1.00000
  Sn27 Sn 0.09025 0.40975 0.59025 1.00000
  Sn28 Sn 0.40975 0.59025 0.09025 1.00000
  Sn29 Sn 0.15975 0.65975 0.84025 1.00000
  Sn30 Sn 0.34025 0.34025 0.34025 1.00000
  Sn31 Sn 0.65975 0.84025 0.15975 1.00000
  Sn32 Sn 0.84025 0.15975 0.65975 1.00000
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