PrH11(IO3)2
Alexandria ALEXAlex-ID: agm006700636 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6D11_8_spg2
PrH18(IO3)3 PrIO H2O
2025-01-26 00:26:19
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006700636).
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 agm006700636
data_agm006700636
_cell_length_a 8.28546
_cell_length_b 9.10221
_cell_length_c 9.44915
_cell_angle_alpha 94.77058
_cell_angle_beta 115.40541
_cell_angle_gamma 102.08592
_cell_volume 617.24546
_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
Pr1 Pr 0.12947 0.16689 0.68231 1.00000
Pr2 Pr 0.87053 0.83311 0.31769 1.00000
H1 H 0.94423 0.16963 0.32812 1.00000
H2 H 0.05577 0.83037 0.67188 1.00000
H3 H 0.91837 0.14862 0.89303 1.00000
H4 H 0.08163 0.85138 0.10697 1.00000
H5 H 0.84031 0.98264 0.78464 1.00000
H6 H 0.15969 0.01736 0.21536 1.00000
H7 H 0.54394 0.15477 0.90240 1.00000
H8 H 0.45606 0.84523 0.09760 1.00000
H9 H 0.43429 0.98889 0.79504 1.00000
H10 H 0.56571 0.01111 0.20496 1.00000
H11 H 0.40023 0.46245 0.64913 1.00000
H12 H 0.59977 0.53755 0.35087 1.00000
H13 H 0.37885 0.32025 0.52899 1.00000
H14 H 0.62115 0.67975 0.47101 1.00000
H15 H 0.81145 0.33327 0.53623 1.00000
H16 H 0.18855 0.66673 0.46377 1.00000
H17 H 0.96575 0.45313 0.69350 1.00000
H18 H 0.03425 0.54687 0.30650 1.00000
H19 H 0.33994 0.33441 0.04749 1.00000
H20 H 0.66006 0.66559 0.95251 1.00000
H21 H 0.25862 0.45973 0.95344 1.00000
H22 H 0.74138 0.54027 0.04656 1.00000
I1 I 0.13505 0.69096 0.91415 1.00000
I2 I 0.86495 0.30904 0.08585 1.00000
I3 I 0.52922 0.75532 0.68581 1.00000
I4 I 0.47078 0.24468 0.31419 1.00000
O1 O 0.96711 0.09960 0.40399 1.00000
O2 O 0.03289 0.90040 0.59601 1.00000
O3 O 0.93646 0.08034 0.81674 1.00000
O4 O 0.06354 0.91966 0.18326 1.00000
O5 O 0.41799 0.08825 0.82728 1.00000
O6 O 0.58201 0.91175 0.17272 1.00000
O7 O 0.34808 0.35027 0.61555 1.00000
O8 O 0.65192 0.64973 0.38445 1.00000
O9 O 0.93982 0.35600 0.62244 1.00000
O10 O 0.06018 0.64400 0.37756 1.00000
O11 O 0.28734 0.36055 0.94027 1.00000
O12 O 0.71266 0.63945 0.05973 1.00000
