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DySnOs

Alexandria ALEX

Alex-ID: agm002320197 · Space group: C2/m (#12)

Basic Information

Formula
DySnOs
Alex-ID
agm002320197
Elements
3
Sites
6
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
140.03
ų
Cell a
4.3406
Å
Cell b
5.3560
Å
Cell c
6.5311
Å
α angle
101.40
°
β angle
109.40
°
γ angle
90.01
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
DySnOs
Os
2.00 · 33.3%
Sn
2.00 · 33.3%
Dy
2.00 · 33.3%

Energy & Stability

Energy above hull
0.2162
eV/atom
Formation energy
-0.2677
eV/atom
Corrected total energy
-41.2786
eV
Raw total energy
-41.2786
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0262
eV
DOS at Fermi level
3.0687
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC_25_spg12

Decomposition

DySn Os

Computed at

2018-12-27 15:15:39

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: agm002320197).

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 agm002320197
data_agm002320197
_cell_length_a     4.34057
_cell_length_b     5.35597
_cell_length_c     6.53114
_cell_angle_alpha  101.40363
_cell_angle_beta   109.40115
_cell_angle_gamma  90.00699
_cell_volume       140.03065
_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
  Os1 Os 0.21770 0.38855 0.42932 1.00000
  Os2 Os 0.79000 0.60698 0.57394 1.00000
  Sn1 Sn 0.57794 0.28368 0.14971 1.00000
  Sn2 Sn 0.42983 0.71185 0.85358 1.00000
  Dy1 Dy 0.87670 0.16477 0.74715 1.00000
  Dy2 Dy 0.13097 0.83071 0.25600 1.00000
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