PaH2WO8
Alexandria ALEXAlex-ID: agm004900697 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_676_spg65
Pa2WO8 WO3 H2O PaO6
2023-01-01 22:26:59.350936
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004900697).
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 agm004900697
data_agm004900697
_cell_length_a 4.66073
_cell_length_b 4.88573
_cell_length_c 7.02316
_cell_angle_alpha 91.15969
_cell_angle_beta 89.28396
_cell_angle_gamma 65.02424
_cell_volume 144.90116
_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 0.00000 0.00000 0.50000 1.00000
H1 H 0.43814 0.52806 0.79965 1.00000
H2 H 0.56186 0.47194 0.20035 1.00000
W1 W 0.00000 0.00000 0.00000 1.00000
O1 O 0.20543 0.74475 0.20018 1.00000
O2 O 0.64215 0.86922 0.00983 1.00000
O3 O 0.77408 0.29061 0.20756 1.00000
O4 O 0.79457 0.25525 0.79982 1.00000
O5 O 0.35785 0.13078 0.99017 1.00000
O6 O 0.22592 0.70939 0.79244 1.00000
O7 O 0.73966 0.77312 0.50261 1.00000
O8 O 0.26034 0.22688 0.49739 1.00000
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