VGe(H3Rh)2
Alexandria ALEXAlex-ID: agm007889161 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_420_spg15
Ge2Rh3 VH2 H2 H8Rh3
2024-03-05 20:05:51.800130
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007889161).
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
@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…
# CIF generated by HEAS from Alexandria entry agm007889161
data_agm007889161
_cell_length_a 6.88792
_cell_length_b 6.88792
_cell_length_c 4.86232
_cell_angle_alpha 58.28236
_cell_angle_beta 58.28236
_cell_angle_gamma 76.55370
_cell_volume 166.61772
_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
V1 V 0.12806 0.87194 0.25000 1.00000
V2 V 0.87194 0.12806 0.75000 1.00000
Ge1 Ge 0.57929 0.42071 0.25000 1.00000
Ge2 Ge 0.42071 0.57929 0.75000 1.00000
H1 H 0.88749 0.31409 0.90273 1.00000
H2 H 0.68591 0.11251 0.59727 1.00000
H3 H 0.11251 0.68591 0.09727 1.00000
H4 H 0.31409 0.88749 0.40273 1.00000
H5 H 0.14673 0.11307 0.78239 1.00000
H6 H 0.88693 0.85327 0.71761 1.00000
H7 H 0.85327 0.88693 0.21761 1.00000
H8 H 0.11307 0.14673 0.28239 1.00000
H9 H 0.16484 0.56481 0.43499 1.00000
H10 H 0.43519 0.83516 0.06501 1.00000
H11 H 0.83516 0.43519 0.56501 1.00000
H12 H 0.56481 0.16484 0.93499 1.00000
Rh1 Rh 0.36541 0.15201 0.32895 1.00000
Rh2 Rh 0.84799 0.63459 0.17105 1.00000
Rh3 Rh 0.63459 0.84799 0.67105 1.00000
Rh4 Rh 0.15201 0.36541 0.82895 1.00000
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