Li2CoH8Se
Alexandria ALEXAlex-ID: agm007228477 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1866_spg2
CoH Li2Se H2
2024-01-28 14:13:30.466279
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007228477).
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 agm007228477
data_agm007228477
_cell_length_a 2.68162
_cell_length_b 5.67530
_cell_length_c 9.06453
_cell_angle_alpha 50.94386
_cell_angle_beta 89.39724
_cell_angle_gamma 84.78688
_cell_volume 106.48649
_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
Li1 Li 0.50642 0.99309 0.74763 1.00000
Li2 Li 0.49358 0.00691 0.25237 1.00000
Co1 Co 0.00000 0.00000 0.00000 1.00000
H1 H 0.96319 0.18377 0.07171 1.00000
H2 H 0.03672 0.68590 0.19543 1.00000
H3 H 0.54274 0.78514 0.12455 1.00000
H4 H 0.03681 0.81623 0.92829 1.00000
H5 H 0.96328 0.31410 0.80457 1.00000
H6 H 0.45726 0.21486 0.87545 1.00000
H7 H 0.43632 0.53745 0.51953 1.00000
H8 H 0.56368 0.46255 0.48047 1.00000
Se1 Se 0.00000 0.00000 0.50000 1.00000
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