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Dy2Ga3Rh2

Alexandria ALEX

Alex-ID: agm002276352 · Space group: C2/m (#12)

Basic Information

Formula
Dy2Ga3Rh2
Alex-ID
agm002276352
Elements
3
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
132.07
ų
Cell a
4.1976
Å
Cell b
5.3558
Å
Cell c
7.0697
Å
α angle
66.07
°
β angle
72.84
°
γ angle
67.14
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2Ga3Rh2
Rh
2.00 · 28.6%
Ga
3.00 · 42.9%
Dy
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0240
eV/atom
Formation energy
-0.8136
eV/atom
Corrected total energy
-38.6938
eV
Raw total energy
-38.6938
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.0632
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C3_21_spg12

Decomposition

DyGaRh Dy3Ga5Rh Dy2Ga5Rh3

Computed at

2018-12-26 08:23:08

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: agm002276352).

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 agm002276352
data_agm002276352
_cell_length_a     4.19759
_cell_length_b     5.35575
_cell_length_c     7.06968
_cell_angle_alpha  66.07126
_cell_angle_beta   72.84215
_cell_angle_gamma  67.14264
_cell_volume       132.07256
_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
  Rh1 Rh 0.13345 0.93604 0.79620 1.00000
  Rh2 Rh 0.86655 0.06396 0.20380 1.00000
  Ga1 Ga 0.50000 0.00000 0.00000 1.00000
  Ga2 Ga 0.37049 0.81359 0.44523 1.00000
  Ga3 Ga 0.62951 0.18641 0.55477 1.00000
  Dy1 Dy 0.14825 0.47519 0.22861 1.00000
  Dy2 Dy 0.85175 0.52481 0.77139 1.00000
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