Ac(PaH4)2
Alexandria ALEXAlex-ID: agm006567601 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_134_spg2
Ac4H9 PaH3 Pa
2024-10-22 01:49:15.715116
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006567601).
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 agm006567601
data_agm006567601
_cell_length_a 6.53445
_cell_length_b 6.53445
_cell_length_c 6.53445
_cell_angle_alpha 148.12511
_cell_angle_beta 124.63341
_cell_angle_gamma 65.32146
_cell_volume 119.86242
_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
Ac1 Ac 0.50000 0.00000 0.50000 1.00000
Pa1 Pa 0.82185 0.32185 0.50000 1.00000
Pa2 Pa 0.17815 0.67815 0.50000 1.00000
H1 H 0.59626 0.82879 0.76746 1.00000
H2 H 0.93867 0.17121 0.76746 1.00000
H3 H 0.32448 0.32448 0.00000 1.00000
H4 H 0.20209 0.50000 0.70209 1.00000
H5 H 0.67552 0.67552 0.00000 1.00000
H6 H 0.06133 0.82879 0.23254 1.00000
H7 H 0.40374 0.17121 0.23254 1.00000
H8 H 0.79791 0.50000 0.29791 1.00000
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