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Yb2Ga3Rh2

Alexandria ALEX

Alex-ID: agm002276372 · Space group: C2/m (#12)

Basic Information

Formula
Yb2Ga3Rh2
Alex-ID
agm002276372
Elements
3
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
131.83
ų
Cell a
3.9944
Å
Cell b
5.3460
Å
Cell c
7.2570
Å
α angle
68.10
°
β angle
74.05
°
γ angle
68.22
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Yb2Ga3Rh2
Yb
2.00 · 28.6%
Rh
2.00 · 28.6%
Ga
3.00 · 42.9%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.7849
eV/atom
Corrected total energy
-32.3369
eV
Raw total energy
-32.3369
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
1.8159
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C3_21_spg12

Decomposition

Yb2Ga3Rh2

Computed at

2018-12-26 09:27:31

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: agm002276372).

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 agm002276372
data_agm002276372
_cell_length_a     3.99440
_cell_length_b     5.34603
_cell_length_c     7.25697
_cell_angle_alpha  68.09604
_cell_angle_beta   74.04642
_cell_angle_gamma  68.22186
_cell_volume       131.83274
_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
  Yb1 Yb 0.14601 0.47842 0.22974 1.00000
  Yb2 Yb 0.85399 0.52158 0.77026 1.00000
  Rh1 Rh 0.12754 0.94971 0.79498 1.00000
  Rh2 Rh 0.87246 0.05029 0.20502 1.00000
  Ga1 Ga 0.50000 0.00000 0.00000 1.00000
  Ga2 Ga 0.36198 0.82732 0.44813 1.00000
  Ga3 Ga 0.63802 0.17268 0.55187 1.00000
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