NaPu(CdH4)2
Alexandria ALEXAlex-ID: agm007443487 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1153_spg2
Na2Cd11 NaH7 PuH3 Cd
2024-02-07 23:36:16
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007443487).
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 agm007443487
data_agm007443487
_cell_length_a 3.74926
_cell_length_b 6.12351
_cell_length_c 6.72646
_cell_angle_alpha 69.95589
_cell_angle_beta 89.93300
_cell_angle_gamma 72.19852
_cell_volume 137.20027
_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 0.50000 0.00000 0.50000 1.00000
Pu1 Pu 0.00000 0.00000 0.00000 1.00000
Cd1 Cd 0.25383 0.49455 0.78293 1.00000
Cd2 Cd 0.74617 0.50545 0.21707 1.00000
H1 H 0.58881 0.82219 0.94041 1.00000
H2 H 0.08603 0.82851 0.71193 1.00000
H3 H 0.79517 0.41121 0.84393 1.00000
H4 H 0.41119 0.17781 0.05959 1.00000
H5 H 0.20483 0.58879 0.15607 1.00000
H6 H 0.91397 0.17149 0.28807 1.00000
H7 H 0.59234 0.81469 0.27209 1.00000
H8 H 0.40766 0.18531 0.72791 1.00000
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