NdAgH6
Alexandria ALEXAlex-ID: agm079331648 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_2_spg12
NdH3 H2 Ag
2025-06-25 19:54:39
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm079331648).
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
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# CIF generated by HEAS from Alexandria entry agm079331648
data_agm079331648
_cell_length_a 4.57737
_cell_length_b 4.75793
_cell_length_c 5.73288
_cell_angle_alpha 71.43732
_cell_angle_beta 45.22103
_cell_angle_gamma 69.46483
_cell_volume 82.51613
_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 0.84076 0.60621 0.67103 1.00000
Ag1 Ag 0.70731 0.98874 0.16019 1.00000
H1 H 0.69298 0.09631 0.83477 1.00000
H2 H 0.15775 0.78907 0.13001 1.00000
H3 H 0.40092 0.73787 0.55397 1.00000
H4 H 0.83813 0.34991 0.37016 1.00000
H5 H 0.54807 0.39178 0.22679 1.00000
H6 H 0.06409 0.29011 0.30308 1.00000
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