CdSb2H7
Alexandria ALEXAlex-ID: agm006197301 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_537_spg8
SbH3 Cd CdH4
2024-02-01 07:06:46
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006197301).
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 agm006197301
data_agm006197301
_cell_length_a 5.71146
_cell_length_b 4.77091
_cell_length_c 12.58108
_cell_angle_alpha 116.59044
_cell_angle_beta 63.55746
_cell_angle_gamma 147.66803
_cell_volume 162.33435
_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 0.17372 0.97396 0.48971 1.00000
H2 H 0.53469 0.43196 0.79792 1.00000
H3 H 0.58164 0.56091 0.75839 1.00000
H4 H 0.41322 0.75278 0.09028 1.00000
H5 H 0.22021 0.45569 0.43053 1.00000
H6 H 0.36774 0.27403 0.16481 1.00000
H7 H 0.01065 0.62239 0.91550 1.00000
Cd1 Cd 0.46729 0.99586 0.98961 1.00000
Sb1 Sb 0.14081 0.34902 0.57219 1.00000
Sb2 Sb 0.32243 0.64079 0.25922 1.00000
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