CsCa2DyBr8
Alexandria ALEXAlex-ID: agm004908922 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_356_spg65
CsCaDyBr6 CaBr2
2022-12-19 06:21:08.071887
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004908922).
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 agm004908922
data_agm004908922
_cell_length_a 7.08983
_cell_length_b 6.82924
_cell_length_c 9.36526
_cell_angle_alpha 89.89775
_cell_angle_beta 89.93271
_cell_angle_gamma 88.89928
_cell_volume 453.36379
_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 0.00000 0.00000 0.50000 1.00000
Ca1 Ca 0.50004 0.49986 0.74785 1.00000
Ca2 Ca 0.49996 0.50014 0.25215 1.00000
Dy1 Dy 0.00000 0.00000 0.00000 1.00000
Br1 Br 0.16764 0.75259 0.20335 1.00000
Br2 Br 0.67646 0.74299 0.99983 1.00000
Br3 Br 0.83131 0.24645 0.20303 1.00000
Br4 Br 0.83236 0.24741 0.79665 1.00000
Br5 Br 0.32354 0.25701 0.00017 1.00000
Br6 Br 0.16869 0.75355 0.79697 1.00000
Br7 Br 0.60008 0.73085 0.49961 1.00000
Br8 Br 0.39992 0.26915 0.50039 1.00000
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