CsPm2AgI8
Alexandria ALEXAlex-ID: agm004913633 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_301_spg2
Cs3Pm2I9 PmI3 AgI
2022-08-10 05:01:06.025197
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004913633).
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 agm004913633
data_agm004913633
_cell_length_a 8.39533
_cell_length_b 10.14630
_cell_length_c 9.27315
_cell_angle_alpha 97.70827
_cell_angle_beta 86.89729
_cell_angle_gamma 59.92224
_cell_volume 670.54492
_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
Cs1 Cs 0.00000 0.00000 0.50000 1.00000
Pm1 Pm 0.50941 0.52337 0.75774 1.00000
Pm2 Pm 0.49059 0.47663 0.24226 1.00000
Ag1 Ag 0.00000 0.00000 0.00000 1.00000
I1 I 0.07831 0.63044 0.27408 1.00000
I2 I 0.49847 0.71324 0.06016 1.00000
I3 I 0.93481 0.24655 0.19464 1.00000
I4 I 0.92169 0.36956 0.72592 1.00000
I5 I 0.50153 0.28676 0.93984 1.00000
I6 I 0.06519 0.75345 0.80536 1.00000
I7 I 0.52627 0.69520 0.49964 1.00000
I8 I 0.47373 0.30480 0.50036 1.00000
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