Pa2Co2H3
Alexandria ALEXAlex-ID: agm003307129 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_6_spg65
PaCo2 PaH3
2022-02-03 15:56:11.793656
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003307129).
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 agm003307129
data_agm003307129
_cell_length_a 3.53300
_cell_length_b 3.76712
_cell_length_c 7.71271
_cell_angle_alpha 104.13544
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 99.54216
_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
Pa1 Pa 0.00000 0.85396 0.70791 1.00000
Pa2 Pa 0.00000 0.14604 0.29209 1.00000
Co1 Co 0.50000 0.68798 0.37597 1.00000
Co2 Co 0.50000 0.31202 0.62403 1.00000
H1 H 0.50000 0.58334 0.16668 1.00000
H2 H 0.50000 0.41666 0.83332 1.00000
H3 H 0.00000 0.00000 0.00000 1.00000
