Navigation

HEAS Data Platform · Materials Science Database

Dy8Ag6C

Alexandria ALEX

Alex-ID: agm072908233 · Space group: P1 (#1)

Basic Information

Formula
Dy8Ag6C
Alex-ID
agm072908233
Elements
3
Sites
15
Space group
P1 (#1)
Crystal system
triclinic
Volume
374.84
ų
Cell a
7.1994
Å
Cell b
7.4117
Å
Cell c
7.8639
Å
α angle
71.08
°
β angle
73.78
°
γ angle
75.22
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy8Ag6C
Dy
8.00 · 53.3%
Ag
6.00 · 40.0%
C
1.00 · 6.7%

Energy & Stability

Energy above hull
0.1102
eV/atom
Formation energy
-0.2015
eV/atom
Corrected total energy
-66.1835
eV
Raw total energy
-66.1835
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0347
eV
DOS at Fermi level
14.6601
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

AB6C8_723_spg1

Decomposition

DyAg Dy2C

Computed at

2024-10-05 14:00:36.655044

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: agm072908233).

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 agm072908233
data_agm072908233
_cell_length_a     7.19937
_cell_length_b     7.41172
_cell_length_c     7.86393
_cell_angle_alpha  71.07836
_cell_angle_beta   73.77647
_cell_angle_gamma  75.22485
_cell_volume       374.83837
_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 0.16529 0.91595 0.51965 1.00000
  Dy2 Dy 0.55558 0.28903 0.91518 1.00000
  Dy3 Dy 0.73472 0.70226 0.52661 1.00000
  Dy4 Dy 0.18306 0.45254 0.31378 1.00000
  Dy5 Dy 0.98619 0.92061 0.08647 1.00000
  Dy6 Dy 0.99211 0.50557 0.94207 1.00000
  Dy7 Dy 0.54764 0.74998 0.14443 1.00000
  Dy8 Dy 0.74490 0.29673 0.39617 1.00000
  Ag1 Ag 0.97101 0.26490 0.70007 1.00000
  Ag2 Ag 0.34797 0.69445 0.87616 1.00000
  Ag3 Ag 0.52158 0.08062 0.29977 1.00000
  Ag4 Ag 0.77269 0.93207 0.77031 1.00000
  Ag5 Ag 0.36532 0.51332 0.58512 1.00000
  Ag6 Ag 0.38027 0.09601 0.70215 1.00000
  C1 C 0.86524 0.60090 0.22959 1.00000
Get direct link