U2CoH7
Alexandria ALEXAlex-ID: agm006207243 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_796_spg12
UCo3 U(CoH3)2 UH3
2023-12-18 05:46:50
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006207243).
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 agm006207243
data_agm006207243
_cell_length_a 4.79001
_cell_length_b 4.78990
_cell_length_c 6.74244
_cell_angle_alpha 110.64497
_cell_angle_beta 69.28633
_cell_angle_gamma 120.00464
_cell_volume 122.32183
_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
H1 H 0.09282 0.74281 0.14527 1.00000
H2 H 0.85370 0.96880 0.84835 1.00000
H3 H 0.36065 0.47575 0.84831 1.00000
H4 H 0.09270 0.23590 0.14538 1.00000
H5 H 0.47313 0.85518 0.49683 1.00000
H6 H 0.58587 0.23584 0.14531 1.00000
H7 H 0.85376 0.47571 0.84828 1.00000
U1 U 0.35821 0.97133 0.84176 1.00000
U2 U 0.58829 0.74028 0.15188 1.00000
Co1 Co 0.97328 0.35579 0.99678 1.00000
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