Ce2(YH3)3
Alexandria ALEXAlex-ID: agm006191925 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C9_526_spg1
CeY3H8 Ce CeH2
2024-02-02 13:24:10
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006191925).
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 agm006191925
data_agm006191925
_cell_length_a 5.99532
_cell_length_b 5.87912
_cell_length_c 7.03336
_cell_angle_alpha 61.61202
_cell_angle_beta 115.58791
_cell_angle_gamma 121.99632
_cell_volume 179.50064
_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
Ce1 Ce 0.20868 0.80478 0.60449 1.00000
Ce2 Ce 0.79132 0.19522 0.39551 1.00000
Y1 Y 0.40359 0.56056 0.22799 1.00000
Y2 Y 1.00000 0.00000 1.00000 1.00000
Y3 Y 0.59641 0.43944 0.77201 1.00000
H1 H 0.85816 0.66241 0.30651 1.00000
H2 H 0.08269 0.13049 0.29209 1.00000
H3 H 0.50000 1.00000 1.00000 1.00000
H4 H 0.91731 0.86952 0.70791 1.00000
H5 H 0.45949 0.73969 0.46722 1.00000
H6 H 0.54051 0.26031 0.53278 1.00000
H7 H 0.14184 0.33759 0.69349 1.00000
H8 H 0.00000 0.50000 0.00000 1.00000
H9 H 0.50000 0.50000 0.00000 1.00000
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