Cs
Alexandria ALEXAlex-ID: agm045828404 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A_1041_spg2
Cs
2025-01-15 14:51:52
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045828404).
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 agm045828404
data_agm045828404
_cell_length_a 14.91493
_cell_length_b 13.34188
_cell_length_c 15.87606
_cell_angle_alpha 75.15602
_cell_angle_beta 62.26167
_cell_angle_gamma 56.15709
_cell_volume 2322.39532
_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 0.35888 0.16381 0.41436 1.00000
Cs2 Cs 0.06325 0.66450 0.91663 1.00000
Cs3 Cs 0.75096 0.09296 0.05885 1.00000
Cs4 Cs 0.55469 0.46984 0.81247 1.00000
Cs5 Cs 0.36318 0.25061 0.74961 1.00000
Cs6 Cs 0.09491 0.59090 0.56075 1.00000
Cs7 Cs 0.83609 0.02877 0.68556 1.00000
Cs8 Cs 0.16391 0.97123 0.31444 1.00000
Cs9 Cs 0.90509 0.40910 0.43925 1.00000
Cs10 Cs 0.63682 0.74939 0.25039 1.00000
Cs11 Cs 0.44531 0.53016 0.18753 1.00000
Cs12 Cs 0.24904 0.90704 0.94115 1.00000
Cs13 Cs 0.93675 0.33550 0.08337 1.00000
Cs14 Cs 0.64112 0.83619 0.58564 1.00000
Cs15 Cs 0.32842 0.25110 0.08748 1.00000
Cs16 Cs 0.33317 0.74764 0.58769 1.00000
Cs17 Cs 0.66683 0.25236 0.41231 1.00000
Cs18 Cs 0.67158 0.74890 0.91252 1.00000
Cs19 Cs 0.00528 0.24456 0.74797 1.00000
Cs20 Cs 0.99472 0.75544 0.25203 1.00000
