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U4Rh

Alexandria ALEX

Alex-ID: agm059287166 · Space group: P-1 (#2)

Basic Information

Formula
U4Rh
Alex-ID
agm059287166
Elements
2
Sites
10
Space group
P-1 (#2)
Crystal system
triclinic
Volume
194.31
ų
Cell a
4.9350
Å
Cell b
5.2382
Å
Cell c
8.0162
Å
α angle
79.82
°
β angle
79.67
°
γ angle
74.14
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
U4Rh
U
8.00 · 80.0%
Rh
2.00 · 20.0%

Energy & Stability

Energy above hull
0.1038
eV/atom
Formation energy
-0.1400
eV/atom
Corrected total energy
-106.4083
eV
Raw total energy
-106.4083
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0057
eV
DOS at Fermi level
23.4319
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4_25_spg2

Decomposition

URh U

Computed at

2024-10-02 04:17:09.898131

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: agm059287166).

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 agm059287166
data_agm059287166
_cell_length_a     4.93500
_cell_length_b     5.23815
_cell_length_c     8.01619
_cell_angle_alpha  79.81592
_cell_angle_beta   79.67108
_cell_angle_gamma  74.14114
_cell_volume       194.30637
_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
  U1 U 0.30931 0.89213 0.34513 1.00000
  U2 U 0.69069 0.10787 0.65487 1.00000
  U3 U 0.81605 0.85732 0.06541 1.00000
  U4 U 0.18395 0.14268 0.93459 1.00000
  U5 U 0.27751 0.46514 0.12390 1.00000
  U6 U 0.72249 0.53486 0.87610 1.00000
  U7 U 0.82530 0.72552 0.45817 1.00000
  U8 U 0.17470 0.27448 0.54183 1.00000
  Rh1 Rh 0.25667 0.69734 0.72871 1.00000
  Rh2 Rh 0.74333 0.30266 0.27129 1.00000
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