NaPu(CuH4)2
Alexandria ALEXAlex-ID: agm007185647 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1035_spg1
NaH7 Na2CuH3 PuH3 Cu
2024-01-31 18:17:50
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007185647).
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 agm007185647
data_agm007185647
_cell_length_a 4.20313
_cell_length_b 5.48808
_cell_length_c 6.18233
_cell_angle_alpha 103.82875
_cell_angle_beta 109.88722
_cell_angle_gamma 112.55485
_cell_volume 112.07746
_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 0.00000 0.00000 0.00000 1.00000
Pu1 Pu 0.00000 0.50000 0.50000 1.00000
Cu1 Cu 0.39922 0.65256 0.14627 1.00000
Cu2 Cu 0.60078 0.34744 0.85373 1.00000
H1 H 0.59295 0.71589 0.47082 1.00000
H2 H 0.62745 0.01259 0.23838 1.00000
H3 H 0.40705 0.28411 0.52918 1.00000
H4 H 0.98474 0.39989 0.12156 1.00000
H5 H 0.01526 0.60011 0.87844 1.00000
H6 H 0.53842 0.40156 0.12245 1.00000
H7 H 0.46158 0.59844 0.87755 1.00000
H8 H 0.37255 0.98741 0.76162 1.00000
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