CeH11(IO3)2
Alexandria ALEXAlex-ID: agm006700611 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6D11_8_spg2
CeH18(IO3)3 CeIO H2O
2025-01-26 01:43:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006700611).
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 agm006700611
data_agm006700611
_cell_length_a 8.34789
_cell_length_b 9.09656
_cell_length_c 9.43600
_cell_angle_alpha 94.76457
_cell_angle_beta 115.67532
_cell_angle_gamma 102.18480
_cell_volume 618.73567
_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
Ce1 Ce 0.12823 0.16806 0.68012 1.00000
Ce2 Ce 0.87177 0.83194 0.31988 1.00000
H1 H 0.94192 0.16770 0.32556 1.00000
H2 H 0.05808 0.83230 0.67444 1.00000
H3 H 0.91622 0.14845 0.88951 1.00000
H4 H 0.08378 0.85155 0.11049 1.00000
H5 H 0.83699 0.98219 0.78065 1.00000
H6 H 0.16301 0.01781 0.21935 1.00000
H7 H 0.54361 0.15599 0.90085 1.00000
H8 H 0.45639 0.84401 0.09915 1.00000
H9 H 0.43335 0.98976 0.79369 1.00000
H10 H 0.56665 0.01024 0.20631 1.00000
H11 H 0.39793 0.46356 0.64474 1.00000
H12 H 0.60207 0.53644 0.35526 1.00000
H13 H 0.38104 0.31971 0.52847 1.00000
H14 H 0.61896 0.68029 0.47153 1.00000
H15 H 0.81125 0.33471 0.53586 1.00000
H16 H 0.18875 0.66529 0.46414 1.00000
H17 H 0.96695 0.45601 0.69264 1.00000
H18 H 0.03305 0.54399 0.30736 1.00000
H19 H 0.33805 0.33408 0.05047 1.00000
H20 H 0.66195 0.66592 0.94953 1.00000
H21 H 0.25529 0.45898 0.95623 1.00000
H22 H 0.74471 0.54102 0.04377 1.00000
I1 I 0.13459 0.69252 0.91455 1.00000
I2 I 0.86541 0.30748 0.08545 1.00000
I3 I 0.52698 0.75629 0.68408 1.00000
I4 I 0.47302 0.24371 0.31592 1.00000
O1 O 0.96464 0.09840 0.40282 1.00000
O2 O 0.03536 0.90160 0.59718 1.00000
O3 O 0.93288 0.07992 0.81247 1.00000
O4 O 0.06712 0.92008 0.18753 1.00000
O5 O 0.41776 0.08948 0.82570 1.00000
O6 O 0.58224 0.91052 0.17430 1.00000
O7 O 0.34702 0.35096 0.61242 1.00000
O8 O 0.65298 0.64904 0.38758 1.00000
O9 O 0.94035 0.35872 0.62090 1.00000
O10 O 0.05965 0.64128 0.37910 1.00000
O11 O 0.28443 0.36015 0.94286 1.00000
O12 O 0.71557 0.63985 0.05714 1.00000
