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SrGe2Rh

Alexandria ALEX

Alex-ID: agm002152149 · Space group: Cmcm (#63)

Basic Information

Formula
SrGe2Rh
Alex-ID
agm002152149
Elements
3
Sites
8
Space group
Cmcm (#63)
Crystal system
orthorhombic
Volume
172.97
ų
Cell a
4.3484
Å
Cell b
4.5296
Å
Cell c
9.0664
Å
α angle
104.40
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
SrGe2Rh
Sr
2.00 · 25.0%
Ge
4.00 · 50.0%
Rh
2.00 · 25.0%

Energy & Stability

Energy above hull
0.0273
eV/atom
Formation energy
-0.6537
eV/atom
Corrected total energy
-41.7807
eV
Raw total energy
-41.7807
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.7007
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC2_47_spg63

Decomposition

SrGe2 Sr(GeRh)2

Computed at

2018-05-29 07:30:02

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: agm002152149).

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 agm002152149
data_agm002152149
_cell_length_a     4.34839
_cell_length_b     4.52962
_cell_length_c     9.06643
_cell_angle_alpha  104.39920
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       172.96771
_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 0.75000 0.10616 0.21169 1.00000
  Sr2 Sr 0.25000 0.89384 0.78831 1.00000
  Ge1 Ge 0.75000 0.45723 0.91712 1.00000
  Ge2 Ge 0.25000 0.54277 0.08288 1.00000
  Ge3 Ge 0.75000 0.75163 0.50247 1.00000
  Ge4 Ge 0.25000 0.24837 0.49753 1.00000
  Rh1 Rh 0.75000 0.31828 0.63626 1.00000
  Rh2 Rh 0.25000 0.68172 0.36374 1.00000
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