NpAg2PbI8
Alexandria ALEXAlex-ID: agm004913636 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_290_spg2
NpPbI6 AgI
2022-08-10 05:26:33.221158
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004913636).
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 agm004913636
data_agm004913636
_cell_length_a 7.62145
_cell_length_b 7.88114
_cell_length_c 9.32133
_cell_angle_alpha 72.08328
_cell_angle_beta 90.01370
_cell_angle_gamma 101.03895
_cell_volume 521.85012
_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
Np1 Np 0.00000 0.00000 0.00000 1.00000
Ag1 Ag 0.53870 0.35213 0.66784 1.00000
Ag2 Ag 0.46130 0.64787 0.33216 1.00000
Pb1 Pb 0.00000 0.00000 0.50000 1.00000
I1 I 0.10409 0.74978 0.29803 1.00000
I2 I 0.63602 0.76318 0.04122 1.00000
I3 I 0.87658 0.22464 0.17363 1.00000
I4 I 0.89591 0.25022 0.70197 1.00000
I5 I 0.36398 0.23682 0.95878 1.00000
I6 I 0.12342 0.77536 0.82637 1.00000
I7 I 0.60229 0.74543 0.58118 1.00000
I8 I 0.39771 0.25457 0.41882 1.00000
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