Cd(H4Pb)2
Alexandria ALEXAlex-ID: agm006555380 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_3329_spg2
H6Pb CdH4 Pb
2023-12-28 07:30:11
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006555380).
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 agm006555380
data_agm006555380
_cell_length_a 4.82417
_cell_length_b 6.21111
_cell_length_c 7.40713
_cell_angle_alpha 129.12199
_cell_angle_beta 98.02786
_cell_angle_gamma 78.93938
_cell_volume 168.93556
_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
Pb1 Pb 0.05573 0.54344 0.27943 1.00000
Pb2 Pb 0.94427 0.45656 0.72057 1.00000
H1 H 0.48994 0.02069 0.46101 1.00000
H2 H 0.23060 0.70601 0.85569 1.00000
H3 H 0.30592 0.24757 0.30075 1.00000
H4 H 0.22518 0.27280 0.96015 1.00000
H5 H 0.69408 0.75243 0.69925 1.00000
H6 H 0.76939 0.29399 0.14431 1.00000
H7 H 0.51006 0.97931 0.53899 1.00000
H8 H 0.77482 0.72720 0.03985 1.00000
Cd1 Cd 0.50000 0.00000 0.00000 1.00000
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