PuCd2H7
Alexandria ALEXAlex-ID: agm006197486 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_870_spg1
CdH4 Cd PuH3
2023-10-29 14:25:36
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006197486).
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 agm006197486
data_agm006197486
_cell_length_a 6.55526
_cell_length_b 6.55720
_cell_length_c 6.55585
_cell_angle_alpha 145.61802
_cell_angle_beta 39.11444
_cell_angle_gamma 126.97886
_cell_volume 99.79508
_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
H1 H 0.18483 0.85585 0.23525 1.00000
H2 H 0.90741 0.76771 0.60093 1.00000
H3 H 0.49635 0.26768 0.51187 1.00000
H4 H 0.10400 0.16594 0.00815 1.00000
H5 H 0.73095 0.94350 0.60080 1.00000
H6 H 0.31980 0.44363 0.51178 1.00000
H7 H 0.72148 0.54615 0.00709 1.00000
Pu1 Pu 0.93085 0.35571 0.98919 1.00000
Cd1 Cd 0.26266 0.01078 0.00133 1.00000
Cd2 Cd 0.57405 0.70044 0.00178 1.00000
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