CrCd2BiH8
Alexandria ALEXAlex-ID: agm007432207 · Space group: Cmm2 (#35)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_531_spg2
CdH4 CrH Bi Cd
2024-02-09 02:45:39
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007432207).
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 agm007432207
data_agm007432207
_cell_length_a 5.04028
_cell_length_b 5.17200
_cell_length_c 5.77145
_cell_angle_alpha 116.80929
_cell_angle_beta 90.03885
_cell_angle_gamma 90.06783
_cell_volume 134.28008
_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
Cr1 Cr 0.94362 0.00013 0.00014 1.00000
Cd1 Cd 0.42068 0.85308 0.71045 1.00000
Cd2 Cd 0.42242 0.14621 0.28927 1.00000
Bi1 Bi 0.73390 0.50007 0.00025 1.00000
H1 H 0.09299 0.87954 0.18741 1.00000
H2 H 0.09137 0.30985 0.18935 1.00000
H3 H 0.08908 0.68995 0.80975 1.00000
H4 H 0.09196 0.12035 0.81211 1.00000
H5 H 0.81664 0.85294 0.70519 1.00000
H6 H 0.81867 0.14772 0.29569 1.00000
H7 H 0.48925 0.66676 0.33588 1.00000
H8 H 0.48941 0.33340 0.66451 1.00000
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