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Sr4Cu2Rh

Alexandria ALEX

Alex-ID: agm096556958 · Space group: P2/m (#10)

Basic Information

Formula
Sr4Cu2Rh
Alex-ID
agm096556958
Elements
3
Sites
7
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
223.86
ų
Cell a
5.2691
Å
Cell b
4.9815
Å
Cell c
8.5297
Å
α angle
90.00
°
β angle
90.83
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr4Cu2Rh
Sr
4.00 · 57.1%
Cu
2.00 · 28.6%
Rh
1.00 · 14.3%

Energy & Stability

Energy above hull
0.1073
eV/atom
Formation energy
-0.0446
eV/atom
Corrected total energy
-22.7413
eV
Raw total energy
-22.7413
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.9234
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_344_spg2

Decomposition

Sr2CuRh Sr6Rh SrCu

Computed at

2025-04-10 17:09:22

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: agm096556958).

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 agm096556958
data_agm096556958
_cell_length_a     5.26912
_cell_length_b     4.98151
_cell_length_c     8.52966
_cell_angle_alpha  90.00000
_cell_angle_beta   90.83135
_cell_angle_gamma  90.00000
_cell_volume       223.86442
_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
  Sr1 Sr 0.76659 0.50000 0.66111 1.00000
  Sr2 Sr 0.74831 0.00000 0.17464 1.00000
  Sr3 Sr 0.25169 0.00000 0.82536 1.00000
  Sr4 Sr 0.23341 0.50000 0.33889 1.00000
  Cu1 Cu 0.50000 0.00000 0.50000 1.00000
  Cu2 Cu 0.50000 0.50000 0.00000 1.00000
  Rh1 Rh 0.00000 0.00000 0.50000 1.00000
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