Pm(AsI3)2
Alexandria ALEXAlex-ID: agm097921060 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_94_spg6
AsI3 PmI3 As
2025-04-06 17:23:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097921060).
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
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# CIF generated by HEAS from Alexandria entry agm097921060
data_agm097921060
_cell_length_a 6.06547
_cell_length_b 6.21825
_cell_length_c 12.38081
_cell_angle_alpha 82.46582
_cell_angle_beta 78.83815
_cell_angle_gamma 89.37424
_cell_volume 454.12393
_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 0.32863 0.62466 0.25913 1.00000
As1 As 0.14260 0.71064 0.88512 1.00000
As2 As 0.25815 0.92838 0.70413 1.00000
I1 I 0.49944 0.70246 0.97526 1.00000
I2 I 0.23405 0.55574 0.50156 1.00000
I3 I 0.85042 0.63723 0.20494 1.00000
I4 I 0.16095 0.27322 0.83339 1.00000
I5 I 0.33475 0.13122 0.23222 1.00000
I6 I 0.69101 0.93645 0.65425 1.00000
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