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Sm2Dy2Te2C

Alexandria ALEX

Alex-ID: agm025683607 · Space group: C2/m (#12)

Basic Information

Formula
Sm2Dy2Te2C
Alex-ID
agm025683607
Elements
4
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
180.23
ų
Cell a
7.8504
Å
Cell b
7.8504
Å
Cell c
6.5595
Å
α angle
68.25
°
β angle
111.75
°
γ angle
151.15
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sm2Dy2Te2C
Sm
2.00 · 28.6%
Dy
2.00 · 28.6%
Te
2.00 · 28.6%
C
1.00 · 14.3%

Energy & Stability

Energy above hull
0.0360
eV/atom
Formation energy
-0.8862
eV/atom
Corrected total energy
-40.3652
eV
Raw total energy
-40.3652
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0794
eV
DOS at Fermi level
6.2719
Total magnetisation
0.0060
μB

Additional Information

Prototype ID

AB2C2D2_49_spg12

Decomposition

Dy2C SmTe

Computed at

2025-06-07 14:22:27

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: agm025683607).

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 agm025683607
data_agm025683607
_cell_length_a     7.85040
_cell_length_b     7.85040
_cell_length_c     6.55948
_cell_angle_alpha  68.24873
_cell_angle_beta   111.75127
_cell_angle_gamma  151.14695
_cell_volume       180.23195
_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
  Sm1 Sm 0.17924 0.82076 0.66169 1.00000
  Sm2 Sm 0.82076 0.17924 0.33831 1.00000
  Dy1 Dy 0.49534 0.50466 0.73497 1.00000
  Dy2 Dy 0.50466 0.49534 0.26503 1.00000
  Te1 Te 0.14116 0.85884 0.12287 1.00000
  Te2 Te 0.85884 0.14116 0.87713 1.00000
  C1 C 0.00000 0.00000 0.50000 1.00000
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