Ce2H7S
Alexandria ALEXAlex-ID: agm006199852 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_1096_spg2
Ce2H4S H2
2023-12-05 10:21:49
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006199852).
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 agm006199852
data_agm006199852
_cell_length_a 4.03546
_cell_length_b 3.86382
_cell_length_c 8.20915
_cell_angle_alpha 103.61969
_cell_angle_beta 81.96624
_cell_angle_gamma 118.60837
_cell_volume 109.15781
_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
H1 H 0.91888 0.51619 0.37173 1.00000
H2 H 0.02764 0.19527 0.62195 1.00000
H3 H 0.24343 0.28423 0.58393 1.00000
H4 H 0.25850 0.13370 0.26741 1.00000
H5 H 0.47321 0.85563 0.49682 1.00000
H6 H 0.70300 0.42725 0.40965 1.00000
H7 H 0.68800 0.57785 0.72623 1.00000
S1 S 0.97324 0.35576 0.99683 1.00000
Ce1 Ce 0.32766 0.92199 0.77493 1.00000
Ce2 Ce 0.61883 0.78952 0.21869 1.00000
Get direct link