NdH11(IO3)2
Alexandria ALEXAlex-ID: agm006700664 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6D11_8_spg2
NdH18(IO3)3 NdIO H2O
2024-12-18 19:03:30
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006700664).
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 agm006700664
data_agm006700664
_cell_length_a 8.25853
_cell_length_b 9.07695
_cell_length_c 9.41417
_cell_angle_alpha 94.81884
_cell_angle_beta 115.40618
_cell_angle_gamma 102.07715
_cell_volume 611.16707
_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
Nd1 Nd 0.12858 0.16610 0.68118 1.00000
Nd2 Nd 0.87142 0.83390 0.31882 1.00000
H1 H 0.94433 0.16925 0.32812 1.00000
H2 H 0.05567 0.83075 0.67188 1.00000
H3 H 0.91924 0.14926 0.89180 1.00000
H4 H 0.08076 0.85074 0.10820 1.00000
H5 H 0.84135 0.98248 0.78359 1.00000
H6 H 0.15865 0.01752 0.21641 1.00000
H7 H 0.54188 0.15547 0.90107 1.00000
H8 H 0.45812 0.84453 0.09893 1.00000
H9 H 0.43196 0.98874 0.79415 1.00000
H10 H 0.56804 0.01126 0.20585 1.00000
H11 H 0.39870 0.46111 0.64981 1.00000
H12 H 0.60130 0.53889 0.35019 1.00000
H13 H 0.37712 0.31907 0.52840 1.00000
H14 H 0.62288 0.68093 0.47160 1.00000
H15 H 0.81231 0.33217 0.53575 1.00000
H16 H 0.18769 0.66783 0.46425 1.00000
H17 H 0.96713 0.45223 0.69389 1.00000
H18 H 0.03287 0.54777 0.30611 1.00000
H19 H 0.33974 0.33273 0.04511 1.00000
H20 H 0.66026 0.66727 0.95489 1.00000
H21 H 0.25832 0.45870 0.95130 1.00000
H22 H 0.74168 0.54130 0.04870 1.00000
I1 I 0.13562 0.69096 0.91488 1.00000
I2 I 0.86438 0.30904 0.08512 1.00000
I3 I 0.52937 0.75513 0.68634 1.00000
I4 I 0.47063 0.24487 0.31366 1.00000
O1 O 0.96724 0.09909 0.40425 1.00000
O2 O 0.03276 0.90091 0.59575 1.00000
O3 O 0.93779 0.08047 0.81571 1.00000
O4 O 0.06221 0.91953 0.18429 1.00000
O5 O 0.41547 0.08849 0.82608 1.00000
O6 O 0.58453 0.91151 0.17392 1.00000
O7 O 0.34625 0.34866 0.61545 1.00000
O8 O 0.65375 0.65134 0.38455 1.00000
O9 O 0.94097 0.35472 0.62253 1.00000
O10 O 0.05903 0.64528 0.37747 1.00000
O11 O 0.28683 0.35915 0.93760 1.00000
O12 O 0.71317 0.64085 0.06240 1.00000
