Pa4VH2
Alexandria ALEXAlex-ID: agm095980507 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_171_spg82
Pa V PaH3
2025-04-10 20:09:33
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm095980507).
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 agm095980507
data_agm095980507
_cell_length_a 3.20321
_cell_length_b 5.10023
_cell_length_c 7.48476
_cell_angle_alpha 99.95464
_cell_angle_beta 95.69836
_cell_angle_gamma 99.37169
_cell_volume 117.80498
_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 0.09536 0.36957 0.80171 1.00000
Pa2 Pa 0.26379 0.13388 0.35503 1.00000
Pa3 Pa 0.67719 0.80426 0.61615 1.00000
Pa4 Pa 0.84139 0.59540 0.18824 1.00000
V1 V 0.50852 0.95195 0.97935 1.00000
H1 H 0.06440 0.15452 0.04865 1.00000
H2 H 0.04935 0.49042 0.51087 1.00000
Get direct link