RbNd2H7
Alexandria ALEXAlex-ID: agm006201801 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_355_spg2
NdH3 RbH
2023-12-02 06:15:12
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201801).
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 agm006201801
data_agm006201801
_cell_length_a 7.17100
_cell_length_b 5.50881
_cell_length_c 7.16848
_cell_angle_alpha 112.59998
_cell_angle_beta 31.62174
_cell_angle_gamma 112.59164
_cell_volume 136.12200
_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
H1 H 0.14367 0.80883 0.16748 1.00000
H2 H 0.80312 0.90269 0.82647 1.00000
H3 H 0.65216 0.53577 0.67589 1.00000
H4 H 0.14331 0.24308 0.16714 1.00000
H5 H 0.47324 0.85500 0.49682 1.00000
H6 H 0.29431 0.17803 0.31774 1.00000
H7 H 0.80283 0.46780 0.82619 1.00000
Nd1 Nd 0.66913 0.05111 0.69294 1.00000
Nd2 Nd 0.27733 0.65905 0.30071 1.00000
Rb1 Rb 0.97328 0.35600 0.99678 1.00000
Get direct link