Sc2Ge2HRh
Alexandria ALEXAlex-ID: agm006923331 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D2_31_spg72
ScGe2Rh ScGe ScGeRh ScH2
2024-03-06 04:24:59.682521
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006923331).
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 agm006923331
data_agm006923331
_cell_length_a 7.04287
_cell_length_b 7.04287
_cell_length_c 7.04287
_cell_angle_alpha 134.26360
_cell_angle_beta 123.20048
_cell_angle_gamma 75.78681
_cell_volume 203.82086
_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
Sc1 Sc 0.26809 0.10416 0.16393 1.00000
Sc2 Sc 0.94024 0.60416 0.33607 1.00000
Sc3 Sc 0.05976 0.39584 0.66393 1.00000
Sc4 Sc 0.73191 0.89584 0.83607 1.00000
Ge1 Ge 0.83753 0.14556 0.69196 1.00000
Ge2 Ge 0.16247 0.85444 0.30804 1.00000
Ge3 Ge 0.54640 0.35444 0.19196 1.00000
Ge4 Ge 0.45360 0.64556 0.80804 1.00000
H1 H 0.00000 0.25000 0.25000 1.00000
H2 H 0.00000 0.75000 0.75000 1.00000
Rh1 Rh 0.50000 0.25000 0.75000 1.00000
Rh2 Rh 0.50000 0.75000 0.25000 1.00000
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