Na3CuH9
Alexandria ALEXAlex-ID: agm095957677 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C9_751_spg8
Na2CuH3 NaH7 NaH
2025-05-28 04:32:43
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm095957677).
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 agm095957677
data_agm095957677
_cell_length_a 5.02797
_cell_length_b 7.32222
_cell_length_c 5.84819
_cell_angle_alpha 124.34370
_cell_angle_beta 90.02744
_cell_angle_gamma 110.07335
_cell_volume 161.65765
_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 0.36210 0.18424 0.60121 1.00000
Na2 Na 0.03637 0.53410 0.41578 1.00000
Na3 Na 0.77209 0.00625 0.90021 1.00000
Cu1 Cu 0.38316 0.22831 0.11303 1.00000
H1 H 0.66690 0.34602 0.02589 1.00000
H2 H 0.14459 0.21324 0.29937 1.00000
H3 H 0.51379 0.63708 0.87205 1.00000
H4 H 0.21677 0.34536 0.02505 1.00000
H5 H 0.66431 0.79456 0.36626 1.00000
H6 H 0.23557 0.93191 0.78500 1.00000
H7 H 0.73170 0.92702 0.42203 1.00000
H8 H 0.66538 0.63839 0.87472 1.00000
H9 H 0.60728 0.21351 0.29941 1.00000
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