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Ni7Rh5

Alexandria ALEX

Alex-ID: agm003293229 · Space group: C2/m (#12)

Basic Information

Formula
Ni7Rh5
Alex-ID
agm003293229
Elements
2
Sites
12
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
151.31
ų
Cell a
4.2545
Å
Cell b
4.6461
Å
Cell c
9.0500
Å
α angle
105.89
°
β angle
90.00
°
γ angle
117.25
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ni7Rh5
Ni
7.00 · 58.3%
Rh
5.00 · 41.7%

Energy & Stability

Energy above hull
0.1429
eV/atom
Formation energy
0.1429
eV/atom
Corrected total energy
-75.5299
eV
Raw total energy
-75.5299
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0047
eV
DOS at Fermi level
20.7416
Total magnetisation
7.4783
μB

Additional Information

Prototype ID

A5B7_90_spg12

Decomposition

Rh Ni

Computed at

2022-01-17 19:44:16.565971

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: agm003293229).

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 agm003293229
data_agm003293229
_cell_length_a     4.25455
_cell_length_b     4.64614
_cell_length_c     9.05002
_cell_angle_alpha  105.89377
_cell_angle_beta   90.00000
_cell_angle_gamma  117.24900
_cell_volume       151.30736
_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
  Ni1 Ni 0.43610 0.87220 0.77292 1.00000
  Ni2 Ni 0.56390 0.12780 0.22708 1.00000
  Ni3 Ni 0.93717 0.87435 0.25259 1.00000
  Ni4 Ni 0.06283 0.12565 0.74741 1.00000
  Ni5 Ni 0.68551 0.37103 0.01423 1.00000
  Ni6 Ni 0.50000 0.00000 0.50000 1.00000
  Ni7 Ni 0.31449 0.62897 0.98577 1.00000
  Rh1 Rh 0.17228 0.34455 0.52425 1.00000
  Rh2 Rh 0.82772 0.65545 0.47575 1.00000
  Rh3 Rh 0.25707 0.51415 0.25441 1.00000
  Rh4 Rh 0.74293 0.48585 0.74559 1.00000
  Rh5 Rh 0.00000 0.00000 0.00000 1.00000
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