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Dy7(SnC)2

Alexandria ALEX

Alex-ID: agm003320331 · Space group: Imm2 (#44)

Basic Information

Formula
Dy7(SnC)2
Alex-ID
agm003320331
Elements
3
Sites
11
Space group
Imm2 (#44)
Crystal system
orthorhombic
Volume
268.20
ų
Cell a
3.5099
Å
Cell b
9.1794
Å
Cell c
9.1794
Å
α angle
68.78
°
β angle
78.98
°
γ angle
78.98
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy7(SnC)2
Dy
7.00 · 63.6%
Sn
2.00 · 18.2%
C
2.00 · 18.2%

Energy & Stability

Energy above hull
0.3105
eV/atom
Formation energy
-0.2615
eV/atom
Corrected total energy
-61.5560
eV
Raw total energy
-61.5559
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
7.1474
Total magnetisation
0.0009
μB

Additional Information

Prototype ID

A2B2C7_301_spg44

Decomposition

Dy3SnC Dy

Computed at

2022-01-22 06:55:09.912276

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: agm003320331).

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 agm003320331
data_agm003320331
_cell_length_a     3.50992
_cell_length_b     9.17939
_cell_length_c     9.17939
_cell_angle_alpha  68.78439
_cell_angle_beta   78.97808
_cell_angle_gamma  78.97808
_cell_volume       268.20376
_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
  Dy1 Dy 0.80904 0.10920 0.27271 1.00000
  Dy2 Dy 0.84276 0.38239 0.93208 1.00000
  Dy3 Dy 0.50000 0.03969 0.96031 1.00000
  Dy4 Dy 0.63855 0.46488 0.25801 1.00000
  Dy5 Dy 0.36145 0.74199 0.53512 1.00000
  Dy6 Dy 0.19096 0.72729 0.89080 1.00000
  Dy7 Dy 0.15724 0.06792 0.61761 1.00000
  Sn1 Sn 0.00000 0.77875 0.22125 1.00000
  Sn2 Sn 0.50000 0.36122 0.63878 1.00000
  C1 C 0.73698 0.85330 0.67275 1.00000
  C2 C 0.26302 0.32725 0.14670 1.00000
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