Nd2Ag2H5
Alexandria ALEXAlex-ID: agm006454615 · Space group: Ima2 (#46)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_685_spg1
Nd4H9 NdH3 Ag
2025-04-29 17:06:09
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006454615).
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 agm006454615
data_agm006454615
_cell_length_a 8.19300
_cell_length_b 8.19300
_cell_length_c 6.83844
_cell_angle_alpha 65.35086
_cell_angle_beta 114.64914
_cell_angle_gamma 142.95962
_cell_volume 248.32792
_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 0.00135 0.49894 0.07519 1.00000
Nd2 Nd 0.50106 0.99865 0.57519 1.00000
Nd3 Nd 0.72898 0.72637 0.58062 1.00000
Nd4 Nd 0.27363 0.27102 0.08062 1.00000
Ag1 Ag 0.90350 0.61506 0.36667 1.00000
Ag2 Ag 0.09897 0.38202 0.58053 1.00000
Ag3 Ag 0.38494 0.09650 0.86667 1.00000
Ag4 Ag 0.61798 0.90103 0.08053 1.00000
H1 H 0.76547 0.07253 0.40108 1.00000
H2 H 0.23752 0.92522 0.21035 1.00000
H3 H 0.92747 0.23453 0.90108 1.00000
H4 H 0.07478 0.76248 0.71035 1.00000
H5 H 0.65645 0.47112 0.93946 1.00000
H6 H 0.34680 0.52732 0.25630 1.00000
H7 H 0.52888 0.34355 0.43946 1.00000
H8 H 0.47268 0.65320 0.75630 1.00000
H9 H 0.88619 0.88371 0.25798 1.00000
H10 H 0.11629 0.11381 0.75798 1.00000
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