CeH11(IO3)2
Alexandria ALEXAlex-ID: agm006701151 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6D11_9_spg2
CeH18(IO3)3 CeIO H2O
2024-11-01 23:18:04.126311
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006701151).
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 agm006701151
data_agm006701151
_cell_length_a 8.60401
_cell_length_b 8.84492
_cell_length_c 9.57389
_cell_angle_alpha 76.06599
_cell_angle_beta 63.31875
_cell_angle_gamma 76.45598
_cell_volume 625.13983
_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 0.05189 0.65847 0.81634 1.00000
Ce2 Ce 0.94811 0.34153 0.18366 1.00000
H1 H 0.94197 0.68295 0.15586 1.00000
H2 H 0.05803 0.31705 0.84414 1.00000
H3 H 0.19371 0.82347 0.45231 1.00000
H4 H 0.80629 0.17653 0.54769 1.00000
H5 H 0.17556 0.95284 0.54974 1.00000
H6 H 0.82444 0.04716 0.45026 1.00000
H7 H 0.84085 0.49752 0.71282 1.00000
H8 H 0.15915 0.50248 0.28718 1.00000
H9 H 0.85331 0.66113 0.59804 1.00000
H10 H 0.14669 0.33887 0.40196 1.00000
H11 H 0.65816 0.82058 0.98773 1.00000
H12 H 0.34184 0.17942 0.01227 1.00000
H13 H 0.74932 0.96613 0.87428 1.00000
H14 H 0.25068 0.03387 0.12572 1.00000
H15 H 0.27410 0.80109 0.93058 1.00000
H16 H 0.72590 0.19891 0.06942 1.00000
H17 H 0.28412 0.91547 0.77044 1.00000
H18 H 0.71588 0.08453 0.22956 1.00000
H19 H 0.44474 0.48052 0.70754 1.00000
H20 H 0.55526 0.51948 0.29246 1.00000
H21 H 0.34929 0.41442 0.63503 1.00000
H22 H 0.65071 0.58558 0.36497 1.00000
I1 I 0.26957 0.18113 0.59067 1.00000
I2 I 0.73043 0.81887 0.40933 1.00000
I3 I 0.64784 0.26182 0.82722 1.00000
I4 I 0.35216 0.73818 0.17278 1.00000
O1 O 0.98980 0.60438 0.08380 1.00000
O2 O 0.01020 0.39562 0.91620 1.00000
O3 O 0.13634 0.85245 0.55955 1.00000
O4 O 0.86366 0.14755 0.44045 1.00000
O5 O 0.89842 0.59254 0.67464 1.00000
O6 O 0.10158 0.40746 0.32536 1.00000
O7 O 0.77349 0.85231 0.91112 1.00000
O8 O 0.22651 0.14769 0.08888 1.00000
O9 O 0.24551 0.81597 0.83874 1.00000
O10 O 0.75449 0.18403 0.16126 1.00000
O11 O 0.35051 0.51076 0.67034 1.00000
O12 O 0.64949 0.48924 0.32966 1.00000
