CeZn2CrH8
Alexandria ALEXAlex-ID: agm004912939 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_310_spg2
ZnH2 CeH3 CrH
2023-01-01 22:27:35.799052
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004912939).
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 agm004912939
data_agm004912939
_cell_length_a 4.44166
_cell_length_b 4.62101
_cell_length_c 6.12954
_cell_angle_alpha 56.36964
_cell_angle_beta 88.86389
_cell_angle_gamma 90.76016
_cell_volume 104.68680
_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 0.00000 0.00000 0.50000 1.00000
Zn1 Zn 0.49881 0.33149 0.80598 1.00000
Zn2 Zn 0.50119 0.66851 0.19402 1.00000
Cr1 Cr 0.00000 0.00000 0.00000 1.00000
H1 H 0.09326 0.65390 0.30435 1.00000
H2 H 0.80242 0.72692 0.94803 1.00000
H3 H 0.72571 0.07251 0.15435 1.00000
H4 H 0.90674 0.34610 0.69565 1.00000
H5 H 0.19758 0.27308 0.05197 1.00000
H6 H 0.27429 0.92749 0.84565 1.00000
H7 H 0.49283 0.75939 0.57609 1.00000
H8 H 0.50717 0.24061 0.42391 1.00000
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