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Dy2Tm2Te2C

Alexandria ALEX

Alex-ID: agm024122545 · Space group: C2/m (#12)

Basic Information

Formula
Dy2Tm2Te2C
Alex-ID
agm024122545
Elements
4
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
171.07
ų
Cell a
7.5884
Å
Cell b
7.5884
Å
Cell c
6.5024
Å
α angle
69.51
°
β angle
110.49
°
γ angle
150.65
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2Tm2Te2C
Dy
2.00 · 28.6%
Tm
2.00 · 28.6%
Te
2.00 · 28.6%
C
1.00 · 14.3%

Energy & Stability

Energy above hull
0.0306
eV/atom
Formation energy
-0.8689
eV/atom
Corrected total energy
-39.7398
eV
Raw total energy
-39.7398
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0532
eV
DOS at Fermi level
6.3775
Total magnetisation
0.0021
μB

Additional Information

Prototype ID

AB2C2D2_49_spg12

Decomposition

Dy6Te5C Tm2C Tm6Te2C3 DyTm17

Computed at

2025-04-17 16:56:18

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: agm024122545).

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 agm024122545
data_agm024122545
_cell_length_a     7.58841
_cell_length_b     7.58841
_cell_length_c     6.50241
_cell_angle_alpha  69.51232
_cell_angle_beta   110.48768
_cell_angle_gamma  150.65366
_cell_volume       171.07373
_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 0.17875 0.82125 0.15148 1.00000
  Dy2 Dy 0.82125 0.17875 0.84852 1.00000
  Tm1 Tm 0.49289 0.50711 0.23056 1.00000
  Tm2 Tm 0.50711 0.49289 0.76944 1.00000
  Te1 Te 0.14209 0.85791 0.61297 1.00000
  Te2 Te 0.85791 0.14209 0.38703 1.00000
  C1 C 0.00000 0.00000 0.00000 1.00000
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