Nd3H9I2
Alexandria ALEXAlex-ID: agm006200945 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C9_1240_spg1
NdH2I NdH7I2 NdH3
2024-02-02 05:23:06
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006200945).
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 agm006200945
data_agm006200945
_cell_length_a 13.27833
_cell_length_b 9.90901
_cell_length_c 14.33045
_cell_angle_alpha 50.31372
_cell_angle_beta 132.94733
_cell_angle_gamma 169.66762
_cell_volume 240.22349
_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
I1 I 0.81309 0.14425 0.67482 1.00000
I2 I 0.04083 0.69104 0.31282 1.00000
Nd1 Nd 0.62629 0.01173 0.15819 1.00000
Nd2 Nd 0.96206 0.95043 0.00890 1.00000
Nd3 Nd 0.22270 0.82927 0.81849 1.00000
H1 H 0.47765 0.52992 0.36222 1.00000
H2 H 0.79223 0.00487 0.16309 1.00000
H3 H 0.86745 0.12562 0.95614 1.00000
H4 H 0.13752 0.93951 0.82777 1.00000
H5 H 0.08875 0.93391 0.57322 1.00000
H6 H 0.75887 0.90646 0.40112 1.00000
H7 H 0.40077 0.34625 0.60729 1.00000
H8 H 0.97681 0.73076 0.00270 1.00000
H9 H 0.83497 0.85601 0.13321 1.00000
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