Sr4Ge9Rh13
Alexandria ALEXAlex-ID: agm008596019 · Space group: Pmmn (#59)
Basic Information
Formula
Sr4Ge9Rh13
Alex-ID
agm008596019
Elements
3
Sites
52
Space group
Pmmn (#59)
Crystal system
orthorhombic
Volume
917.05
ų
Cell a
4.0503
Å
Cell b
11.4721
Å
Cell c
19.7361
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°
Composition
Element Composition (atomic fraction)
Composition Info
Formula
Sr4Ge9Rh13
Sr
8.00 · 15.4%
Ge
18.00 · 34.6%
Rh
26.00 · 50.0%
Energy & Stability
Energy above hull
0.0076
eV/atom
Formation energy
-0.7101
eV/atom
Corrected total energy
-324.6922
eV
Raw total energy
-324.6922
eV
Electronic Structure
Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
17.0956
Total magnetisation
0.0000
μB
Additional Information
Prototype ID
A4B9C13_0_spg59
Decomposition
SrGe2Rh3 Sr(Ge2Rh3)2 Sr(GeRh)2
Computed at
2024-10-26 21:58:50.515125
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: agm008596019).
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
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# CIF generated by HEAS from Alexandria entry agm008596019
data_agm008596019
_cell_length_a 4.05032
_cell_length_b 11.47211
_cell_length_c 19.73614
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 917.05356
_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 0.50000 0.00000 0.02153 1.00000
Sr2 Sr 0.00000 0.50000 0.97847 1.00000
Sr3 Sr 0.00000 0.68821 0.79229 1.00000
Sr4 Sr 0.50000 0.81179 0.20771 1.00000
Sr5 Sr 0.50000 0.18821 0.20771 1.00000
Sr6 Sr 0.00000 0.31179 0.79229 1.00000
Sr7 Sr 0.00000 0.00000 0.48008 1.00000
Sr8 Sr 0.50000 0.50000 0.51992 1.00000
Ge1 Ge 0.50000 0.69274 0.91974 1.00000
Ge2 Ge 0.00000 0.50000 0.39601 1.00000
Ge3 Ge 0.50000 0.00000 0.60399 1.00000
Ge4 Ge 0.50000 0.50000 0.10650 1.00000
Ge5 Ge 0.00000 0.00000 0.89350 1.00000
Ge6 Ge 0.00000 0.31010 0.58583 1.00000
Ge7 Ge 0.50000 0.18990 0.41417 1.00000
Ge8 Ge 0.50000 0.81010 0.41417 1.00000
Ge9 Ge 0.00000 0.80726 0.08026 1.00000
Ge10 Ge 0.00000 0.19274 0.08026 1.00000
Ge11 Ge 0.50000 0.30726 0.91974 1.00000
Ge12 Ge 0.00000 0.00000 0.27336 1.00000
Ge13 Ge 0.00000 0.68990 0.58583 1.00000
Ge14 Ge 0.50000 0.50000 0.72664 1.00000
Ge15 Ge 0.50000 0.87517 0.72915 1.00000
Ge16 Ge 0.50000 0.12483 0.72915 1.00000
Ge17 Ge 0.00000 0.37517 0.27085 1.00000
Ge18 Ge 0.00000 0.62483 0.27085 1.00000
Rh1 Rh 0.50000 0.69830 0.04634 1.00000
Rh2 Rh 0.50000 0.19257 0.54025 1.00000
Rh3 Rh 0.50000 0.80743 0.54025 1.00000
Rh4 Rh 0.00000 0.69257 0.45975 1.00000
Rh5 Rh 0.50000 0.37511 0.35488 1.00000
Rh6 Rh 0.00000 0.12489 0.64512 1.00000
Rh7 Rh 0.00000 0.87511 0.64512 1.00000
Rh8 Rh 0.50000 0.62489 0.35488 1.00000
Rh9 Rh 0.00000 0.80170 0.95366 1.00000
Rh10 Rh 0.00000 0.19830 0.95366 1.00000
Rh11 Rh 0.50000 0.30170 0.04634 1.00000
Rh12 Rh 0.50000 0.00000 0.34563 1.00000
Rh13 Rh 0.00000 0.50000 0.65437 1.00000
Rh14 Rh 0.00000 0.00000 0.14501 1.00000
Rh15 Rh 0.50000 0.50000 0.85499 1.00000
Rh16 Rh 0.00000 0.00000 0.77054 1.00000
Rh17 Rh 0.50000 0.50000 0.22946 1.00000
Rh18 Rh 0.50000 0.68485 0.66234 1.00000
Rh19 Rh 0.00000 0.81515 0.33766 1.00000
Rh20 Rh 0.00000 0.18485 0.33766 1.00000
Rh21 Rh 0.50000 0.31515 0.66234 1.00000
Rh22 Rh 0.00000 0.62086 0.14250 1.00000
Rh23 Rh 0.50000 0.87914 0.85750 1.00000
Rh24 Rh 0.50000 0.12086 0.85750 1.00000
Rh25 Rh 0.00000 0.37914 0.14250 1.00000
Rh26 Rh 0.00000 0.30743 0.45975 1.00000
