Cs15H4
Alexandria ALEXAlex-ID: agm073025829 · Space group: I-43d (#220)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B15_10_spg220
CsH Cs
2024-10-20 11:07:27
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm073025829).
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 agm073025829
data_agm073025829
_cell_length_a 17.34859
_cell_length_b 17.34859
_cell_length_c 17.34859
_cell_angle_alpha 109.47122
_cell_angle_beta 109.47122
_cell_angle_gamma 109.47122
_cell_volume 4019.48677
_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 0.68744 0.04266 0.92850 1.00000
Cs2 Cs 0.75000 0.87500 0.12500 1.00000
Cs3 Cs 0.14478 0.88584 0.45734 1.00000
Cs4 Cs 0.74106 0.35522 0.81256 1.00000
Cs5 Cs 0.57150 0.61416 0.75894 1.00000
Cs6 Cs 0.24106 0.31256 0.85522 1.00000
Cs7 Cs 0.81256 0.74106 0.35522 1.00000
Cs8 Cs 0.38584 0.64478 0.95734 1.00000
Cs9 Cs 0.07150 0.25894 0.11416 1.00000
Cs10 Cs 0.92850 0.68744 0.04266 1.00000
Cs11 Cs 0.45734 0.14478 0.88584 1.00000
Cs12 Cs 0.31256 0.85522 0.24106 1.00000
Cs13 Cs 0.12500 0.75000 0.87500 1.00000
Cs14 Cs 0.35522 0.81256 0.74106 1.00000
Cs15 Cs 0.37500 0.25000 0.62500 1.00000
Cs16 Cs 0.11416 0.07150 0.25894 1.00000
Cs17 Cs 0.95734 0.38584 0.64478 1.00000
Cs18 Cs 0.42850 0.54266 0.18744 1.00000
Cs19 Cs 0.64478 0.95734 0.38584 1.00000
Cs20 Cs 0.62500 0.37500 0.25000 1.00000
Cs21 Cs 0.04266 0.92850 0.68744 1.00000
Cs22 Cs 0.88584 0.45734 0.14478 1.00000
Cs23 Cs 0.85522 0.24106 0.31256 1.00000
Cs24 Cs 0.75894 0.57150 0.61416 1.00000
Cs25 Cs 0.54266 0.18744 0.42850 1.00000
Cs26 Cs 0.61416 0.75894 0.57150 1.00000
Cs27 Cs 0.18744 0.42850 0.54266 1.00000
Cs28 Cs 0.25000 0.62500 0.37500 1.00000
Cs29 Cs 0.25894 0.11416 0.07150 1.00000
Cs30 Cs 0.87500 0.12500 0.75000 1.00000
H1 H 0.50000 1.00000 0.35093 1.00000
H2 H 1.00000 0.35093 0.50000 1.00000
H3 H 0.50000 1.00000 0.85093 1.00000
H4 H 0.64907 0.64907 0.64907 1.00000
H5 H 0.14907 0.14907 0.14907 1.00000
H6 H 1.00000 0.85093 0.50000 1.00000
H7 H 0.85093 0.50000 1.00000 1.00000
H8 H 0.35093 0.50000 1.00000 1.00000
