Ce2AsH7
Alexandria ALEXAlex-ID: agm006203151 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_484_spg166
AsH9 Ce2AsH4 CeH3
2023-10-16 22:47:22
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006203151).
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 agm006203151
data_agm006203151
_cell_length_a 5.86900
_cell_length_b 5.87199
_cell_length_c 7.84640
_cell_angle_alpha 131.09453
_cell_angle_beta 58.74870
_cell_angle_gamma 136.19809
_cell_volume 140.54284
_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 0.04909 0.84447 0.14830 1.00000
H2 H 0.89739 0.86704 0.84535 1.00000
H3 H 0.37664 0.33851 0.85418 1.00000
H4 H 0.18102 0.24370 0.14452 1.00000
H5 H 0.47314 0.85566 0.49678 1.00000
H6 H 0.56986 0.37301 0.13947 1.00000
H7 H 0.76548 0.46778 0.84911 1.00000
As1 As 0.97325 0.35575 0.99682 1.00000
Ce1 Ce 0.32607 0.89755 0.83356 1.00000
Ce2 Ce 0.62044 0.81391 0.16007 1.00000
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