Na2GdH9
Alexandria ALEXAlex-ID: agm101415700 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C9_710_spg1
NaH7 GdH3 NaH
2025-05-23 15:05:50
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101415700).
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 agm101415700
data_agm101415700
_cell_length_a 3.60531
_cell_length_b 6.75658
_cell_length_c 5.95176
_cell_angle_alpha 120.57016
_cell_angle_beta 90.00046
_cell_angle_gamma 90.00432
_cell_volume 124.83060
_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
Na1 Na 0.79197 0.24337 0.68224 1.00000
Na2 Na 0.79169 0.55012 0.29388 1.00000
Gd1 Gd 0.29171 0.83754 0.01100 1.00000
H1 H 0.79165 0.04856 0.97046 1.00000
H2 H 0.29163 0.50133 0.00030 1.00000
H3 H 0.79164 0.62257 0.73079 1.00000
H4 H 0.29153 0.77558 0.57039 1.00000
H5 H 0.79167 0.81932 0.20176 1.00000
H6 H 0.29161 0.87842 0.54545 1.00000
H7 H 0.29156 0.33053 0.22045 1.00000
H8 H 0.29177 0.07733 0.43344 1.00000
H9 H 0.29155 0.31532 0.33984 1.00000
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