Li2PaCoH8
Alexandria ALEXAlex-ID: agm004912974 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_311_spg2
PaCoH6 Li3CoH6 PaH3
2023-01-01 22:27:21.975008
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004912974).
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 agm004912974
data_agm004912974
_cell_length_a 4.24658
_cell_length_b 4.32794
_cell_length_c 5.87866
_cell_angle_alpha 58.91611
_cell_angle_beta 90.00121
_cell_angle_gamma 90.00254
_cell_volume 92.52971
_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 0.50002 0.29387 0.78036 1.00000
Li2 Li 0.49998 0.70613 0.21964 1.00000
Pa1 Pa 0.00000 0.00000 0.50000 1.00000
Co1 Co 0.00000 0.00000 0.00000 1.00000
H1 H 0.00013 0.64337 0.29783 1.00000
H2 H 0.74923 0.83812 0.89475 1.00000
H3 H 0.74912 0.16163 0.10536 1.00000
H4 H 0.99987 0.35663 0.70217 1.00000
H5 H 0.25077 0.16188 0.10525 1.00000
H6 H 0.25088 0.83837 0.89464 1.00000
H7 H 0.49999 0.76322 0.53287 1.00000
H8 H 0.50001 0.23678 0.46713 1.00000
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