CrCd2CuH8
Alexandria ALEXAlex-ID: agm007264255 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_2135_spg8
CdH4 CrH Cu Cd
2024-05-29 08:56:42.350640
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007264255).
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 agm007264255
data_agm007264255
_cell_length_a 3.11679
_cell_length_b 5.19591
_cell_length_c 8.47887
_cell_angle_alpha 81.74041
_cell_angle_beta 79.43429
_cell_angle_gamma 72.55080
_cell_volume 128.19495
_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
Cr1 Cr 0.83582 0.54766 0.98904 1.00000
Cd1 Cd 0.75958 0.34890 0.34004 1.00000
Cd2 Cd 0.43666 0.62356 0.71008 1.00000
Cu1 Cu 0.12254 0.00895 0.95570 1.00000
H1 H 0.93408 0.24120 0.09932 1.00000
H2 H 0.68873 0.65797 0.17433 1.00000
H3 H 0.02273 0.31711 0.84449 1.00000
H4 H 0.69289 0.89892 0.92463 1.00000
H5 H 0.40601 0.38656 0.00993 1.00000
H6 H 0.22671 0.69785 0.05789 1.00000
H7 H 0.54722 0.61840 0.49336 1.00000
H8 H 0.32702 0.15293 0.40119 1.00000
Get direct link