Pm(NdI3)2
Alexandria ALEXAlex-ID: agm005758188 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1810_spg12
NdI2 PmI2
2023-07-07 11:54:49.500078
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005758188).
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 agm005758188
data_agm005758188
_cell_length_a 4.22548
_cell_length_b 9.57205
_cell_length_c 10.41076
_cell_angle_alpha 111.53928
_cell_angle_beta 101.70883
_cell_angle_gamma 90.00000
_cell_volume 382.23790
_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
Pm1 Pm 0.50000 0.00000 0.00000 1.00000
Nd1 Nd 0.82690 0.65055 0.65379 1.00000
Nd2 Nd 0.17310 0.34945 0.34621 1.00000
I1 I 0.33478 0.90998 0.66956 1.00000
I2 I 0.00209 0.24735 0.00418 1.00000
I3 I 0.66318 0.58899 0.32636 1.00000
I4 I 0.99791 0.75265 0.99582 1.00000
I5 I 0.66522 0.09002 0.33044 1.00000
I6 I 0.33682 0.41101 0.67364 1.00000
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