CeH7S2
Alexandria ALEXAlex-ID: agm006199855 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_99_spg38
H3S Ce2HS3 H2
2023-12-04 17:07:09
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006199855).
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
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# CIF generated by HEAS from Alexandria entry agm006199855
data_agm006199855
_cell_length_a 7.24449
_cell_length_b 9.83747
_cell_length_c 6.91499
_cell_angle_alpha 159.68345
_cell_angle_beta 46.39173
_cell_angle_gamma 126.03306
_cell_volume 120.48634
_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 0.90690 0.53805 0.97133 1.00000
H2 H 0.03824 0.78484 0.42637 1.00000
H3 H 0.12464 0.44512 0.21753 1.00000
H4 H 0.35034 0.68980 0.53926 1.00000
H5 H 0.24505 0.32254 0.91437 1.00000
H6 H 0.95090 0.90399 0.72944 1.00000
H7 H 0.75983 0.50351 0.79037 1.00000
S1 S 0.38697 0.89581 0.94831 1.00000
S2 S 0.65985 0.76151 0.05867 1.00000
Ce1 Ce 0.80967 0.21221 0.87252 1.00000
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