Al2CoH8Se
Alexandria ALEXAlex-ID: agm007176262 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_195_spg5
AlCoH6 AlH5Se AlCo
2024-01-28 08:53:23.074843
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007176262).
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
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# CIF generated by HEAS from Alexandria entry agm007176262
data_agm007176262
_cell_length_a 4.01559
_cell_length_b 4.46061
_cell_length_c 6.38854
_cell_angle_alpha 82.62264
_cell_angle_beta 77.36896
_cell_angle_gamma 78.74381
_cell_volume 109.07396
_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
Al1 Al 0.60062 0.76321 0.84759 1.00000
Al2 Al 0.39938 0.23679 0.15241 1.00000
Co1 Co 0.00000 0.00000 0.00000 1.00000
H1 H 0.70701 0.77775 0.57359 1.00000
H2 H 0.99396 0.92997 0.77162 1.00000
H3 H 0.29299 0.22225 0.42641 1.00000
H4 H 0.77435 0.34118 0.94988 1.00000
H5 H 0.22565 0.65882 0.05012 1.00000
H6 H 0.29096 0.16395 0.86332 1.00000
H7 H 0.70904 0.83605 0.13668 1.00000
H8 H 0.00604 0.07003 0.22838 1.00000
Se1 Se 0.50000 0.50000 0.50000 1.00000
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