Pa2ClO6
Alexandria ALEXAlex-ID: agm097550171 · Space group: Pmm2 (#25)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1372_spg121
ClO2 Pa2O5 Cl2O
2025-04-07 04:11:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097550171).
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 agm097550171
data_agm097550171
_cell_length_a 3.74900
_cell_length_b 3.88533
_cell_length_c 9.49072
_cell_angle_alpha 90.02090
_cell_angle_beta 89.81553
_cell_angle_gamma 89.99919
_cell_volume 138.24226
_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 0.16535 0.11121 0.01088 1.00000
Pa2 Pa 0.66838 0.61095 0.70150 1.00000
Cl1 Cl 0.16566 0.61139 0.33327 1.00000
O1 O 0.16664 0.61103 0.87834 1.00000
O2 O 0.16933 0.61090 0.59099 1.00000
O3 O 0.16402 0.61134 0.15958 1.00000
O4 O 0.66685 0.11101 0.85884 1.00000
O5 O 0.66427 0.11131 0.12140 1.00000
O6 O 0.66950 0.11086 0.59520 1.00000
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