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Dy3RhC4

Alexandria ALEX

Alex-ID: agm002202175 · Space group: Immm (#71)

Basic Information

Formula
Dy3RhC4
Alex-ID
agm002202175
Elements
3
Sites
8
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
112.50
ų
Cell a
3.7073
Å
Cell b
4.6488
Å
Cell c
7.1723
Å
α angle
108.90
°
β angle
104.98
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy3RhC4
C
4.00 · 50.0%
Rh
1.00 · 12.5%
Dy
3.00 · 37.5%

Energy & Stability

Energy above hull
0.0683
eV/atom
Formation energy
-0.3330
eV/atom
Corrected total energy
-60.7219
eV
Raw total energy
-60.7219
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0279
eV
DOS at Fermi level
4.4091
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB3C4_0_spg71

Decomposition

Dy3C4 DyRh C

Computed at

2023-03-24 18:31:23.212554

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: agm002202175).

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 agm002202175
data_agm002202175
_cell_length_a     3.70733
_cell_length_b     4.64883
_cell_length_c     7.17231
_cell_angle_alpha  108.90303
_cell_angle_beta   104.97823
_cell_angle_gamma  89.99507
_cell_volume       112.49879
_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
  C1 C 0.62587 0.78094 0.25174 1.00000
  C2 C 0.37413 0.21906 0.74826 1.00000
  C3 C 0.37433 0.52897 0.74808 1.00000
  C4 C 0.62567 0.47103 0.25192 1.00000
  Rh1 Rh 0.50000 0.00000 0.00000 1.00000
  Dy1 Dy 0.81436 0.81448 0.62882 1.00000
  Dy2 Dy 0.18564 0.18552 0.37118 1.00000
  Dy3 Dy 0.00000 0.50000 0.00000 1.00000
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