NdGa2H8Rh
Alexandria ALEXAlex-ID: agm007226400 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1065_spg2
Ga3Rh NdH3 GaH9 NdH6Rh
2024-01-28 13:34:47.535405
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007226400).
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 agm007226400
data_agm007226400
_cell_length_a 4.31590
_cell_length_b 5.93929
_cell_length_c 6.88553
_cell_angle_alpha 57.07836
_cell_angle_beta 66.66354
_cell_angle_gamma 68.41312
_cell_volume 133.34274
_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
Nd1 Nd 0.00000 0.50000 0.50000 1.00000
Ga1 Ga 0.38027 0.04901 0.31195 1.00000
Ga2 Ga 0.61973 0.95099 0.68805 1.00000
H1 H 0.28321 0.20664 0.83452 1.00000
H2 H 0.28275 0.70159 0.06260 1.00000
H3 H 0.95852 0.98459 0.77289 1.00000
H4 H 0.71679 0.79336 0.16548 1.00000
H5 H 0.71725 0.29841 0.93740 1.00000
H6 H 0.04148 0.01541 0.22711 1.00000
H7 H 0.61078 0.31437 0.47897 1.00000
H8 H 0.38922 0.68563 0.52103 1.00000
Rh1 Rh 0.00000 0.00000 0.00000 1.00000
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