PuCo2H7
Alexandria ALEXAlex-ID: agm006207266 · Space group: P2 (#3)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_578_spg10
Pu(CoH3)2 H2
2023-12-18 03:56:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006207266).
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 agm006207266
data_agm006207266
_cell_length_a 4.53958
_cell_length_b 2.83510
_cell_length_c 7.01527
_cell_angle_alpha 102.63439
_cell_angle_beta 82.15273
_cell_angle_gamma 128.59254
_cell_volume 68.86026
_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 0.65325 0.27266 0.43597 1.00000
H2 H 0.65246 0.79717 0.55807 1.00000
H3 H 0.44488 0.70868 0.79707 1.00000
H4 H 0.97118 0.00565 0.27471 1.00000
H5 H 0.19905 0.58331 0.49691 1.00000
H6 H 0.44494 0.94599 0.19643 1.00000
H7 H 0.97087 0.70095 0.71872 1.00000
Co1 Co 0.47301 0.16252 0.66573 1.00000
Co2 Co 0.47313 0.54846 0.32771 1.00000
Pu1 Pu 0.94962 0.33198 0.99685 1.00000
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