Cs4CdH
Alexandria ALEXAlex-ID: agm006680997 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1146_spg10
Cs2Cd Cs CsH
2024-02-25 06:51:57
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006680997).
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 agm006680997
data_agm006680997
_cell_length_a 4.95981
_cell_length_b 8.92599
_cell_length_c 9.62878
_cell_angle_alpha 68.64894
_cell_angle_beta 90.06071
_cell_angle_gamma 90.12235
_cell_volume 397.01968
_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
Cs1 Cs 0.49821 0.72455 0.27988 1.00000
Cs2 Cs 0.50179 0.27545 0.72012 1.00000
Cs3 Cs 0.00071 0.73485 0.69805 1.00000
Cs4 Cs 0.99929 0.26515 0.30195 1.00000
Cd1 Cd 0.50000 0.50000 0.00000 1.00000
H1 H 0.00000 0.50000 0.50000 1.00000
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