CeCu2MoH6
Alexandria ALEXAlex-ID: agm007682889 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_29_spg148
CuH4 CeH3 Cu MoH
2024-02-09 02:45:08
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007682889).
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 agm007682889
data_agm007682889
_cell_length_a 5.60397
_cell_length_b 4.55268
_cell_length_c 5.60335
_cell_angle_alpha 89.97457
_cell_angle_beta 132.06164
_cell_angle_gamma 113.97338
_cell_volume 88.85839
_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 0.50000 0.50000 1.00000
Cu1 Cu 0.59843 0.29937 0.70064 1.00000
Cu2 Cu 0.40157 0.70063 0.29936 1.00000
Mo1 Mo 0.00000 0.00000 0.00000 1.00000
H1 H 0.10679 0.05337 0.39887 1.00000
H2 H 0.65459 0.60119 0.94662 1.00000
H3 H 0.34537 0.94646 0.05345 1.00000
H4 H 0.89321 0.94663 0.60113 1.00000
H5 H 0.34541 0.39881 0.05338 1.00000
H6 H 0.65463 0.05354 0.94655 1.00000
Get direct link