Pa4TcH2
Alexandria ALEXAlex-ID: agm096237044 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_171_spg82
Pa3Tc Pa PaH3
2025-04-10 19:57:26
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096237044).
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 agm096237044
data_agm096237044
_cell_length_a 3.19697
_cell_length_b 4.26891
_cell_length_c 9.07895
_cell_angle_alpha 103.45180
_cell_angle_beta 88.52466
_cell_angle_gamma 90.03315
_cell_volume 120.46472
_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 0.15482 0.37706 0.82585 1.00000
Pa2 Pa 0.22342 0.16876 0.40735 1.00000
Pa3 Pa 0.72000 0.77603 0.62381 1.00000
Pa4 Pa 0.75407 0.54899 0.17083 1.00000
Tc1 Tc 0.44675 0.96111 0.99475 1.00000
H1 H 0.96726 0.02209 0.11620 1.00000
H2 H 0.23368 0.64596 0.36121 1.00000
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