YAl(CoH4)2
Alexandria ALEXAlex-ID: agm007448455 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_303_spg148
AlCoH6 YCoH6 AlCo
2024-02-09 01:56:25
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007448455).
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 agm007448455
data_agm007448455
_cell_length_a 4.27878
_cell_length_b 4.27878
_cell_length_c 6.00859
_cell_angle_alpha 70.22542
_cell_angle_beta 70.22542
_cell_angle_gamma 56.47194
_cell_volume 84.67053
_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
Y1 Y 0.50000 0.50000 0.00000 1.00000
Al1 Al 0.00000 0.00000 0.50000 1.00000
Co1 Co 0.28957 0.28957 0.63295 1.00000
Co2 Co 0.71043 0.71043 0.36705 1.00000
H1 H 0.92946 0.92946 0.19156 1.00000
H2 H 0.71580 0.71580 0.62033 1.00000
H3 H 0.07054 0.07054 0.80844 1.00000
H4 H 0.28420 0.28420 0.37967 1.00000
H5 H 0.57790 0.07812 0.80561 1.00000
H6 H 0.42210 0.92188 0.19439 1.00000
H7 H 0.07812 0.57790 0.80561 1.00000
H8 H 0.92188 0.42210 0.19439 1.00000
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