Na4Cu3H10
Alexandria ALEXAlex-ID: agm006358596 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C10_28_spg2
Na2CuH3 NaH7 Cu
2023-12-20 10:50:29
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006358596).
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 agm006358596
data_agm006358596
_cell_length_a 3.42061
_cell_length_b 3.42061
_cell_length_c 13.87693
_cell_angle_alpha 97.07960
_cell_angle_beta 97.07960
_cell_angle_gamma 90.00000
_cell_volume 159.88304
_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 0.57135 0.57135 0.14269 1.00000
Na2 Na 0.42865 0.42865 0.85731 1.00000
Na3 Na 0.29612 0.29612 0.59224 1.00000
Na4 Na 0.70388 0.70388 0.40776 1.00000
Cu1 Cu 0.14266 0.14266 0.28532 1.00000
Cu2 Cu 0.85734 0.85734 0.71468 1.00000
Cu3 Cu 0.00000 0.00000 0.00000 1.00000
H1 H 0.13449 0.63449 0.26899 1.00000
H2 H 0.05914 0.05914 0.11828 1.00000
H3 H 0.63449 0.13449 0.26899 1.00000
H4 H 0.86551 0.36551 0.73101 1.00000
H5 H 0.36551 0.86551 0.73101 1.00000
H6 H 0.94086 0.94086 0.88172 1.00000
H7 H 0.20683 0.20683 0.41367 1.00000
H8 H 0.79317 0.79317 0.58633 1.00000
H9 H 0.00000 0.50000 0.00000 1.00000
H10 H 0.50000 0.00000 0.00000 1.00000
Get direct link