Pm(NdI4)2
Alexandria ALEXAlex-ID: agm003523928 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_227_spg12
NdI3 PmI3 NdI2
2022-03-15 10:47:53.234795
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003523928).
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 agm003523928
data_agm003523928
_cell_length_a 7.38149
_cell_length_b 11.05504
_cell_length_c 11.05504
_cell_angle_alpha 46.77283
_cell_angle_beta 97.15196
_cell_angle_gamma 97.15196
_cell_volume 651.25021
_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 0.00000 0.00000 0.00000 1.00000
Nd1 Nd 0.57373 0.85553 0.85553 1.00000
Nd2 Nd 0.42627 0.14447 0.14447 1.00000
I1 I 0.26647 0.31913 0.79641 1.00000
I2 I 0.73353 0.20359 0.68087 1.00000
I3 I 0.16052 0.86200 0.86200 1.00000
I4 I 0.83948 0.13800 0.13800 1.00000
I5 I 0.26647 0.79641 0.31913 1.00000
I6 I 0.73353 0.68087 0.20359 1.00000
I7 I 0.63831 0.71538 0.71538 1.00000
I8 I 0.36169 0.28462 0.28462 1.00000
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