Pm2I3Cl
Alexandria ALEXAlex-ID: agm005692432 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1134_spg12
Pm2Cl3 PmI2 PmCl3
2023-08-17 08:04:57.978296
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005692432).
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 agm005692432
data_agm005692432
_cell_length_a 4.15323
_cell_length_b 10.41340
_cell_length_c 12.00832
_cell_angle_alpha 98.38203
_cell_angle_beta 80.04171
_cell_angle_gamma 78.49711
_cell_volume 492.43177
_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 0.87409 0.36675 0.88507 1.00000
Pm2 Pm 0.12591 0.63325 0.11493 1.00000
Pm3 Pm 0.61648 0.12248 0.64455 1.00000
Pm4 Pm 0.38352 0.87752 0.35545 1.00000
I1 I 0.06435 0.04779 0.82352 1.00000
I2 I 0.93565 0.95221 0.17648 1.00000
I3 I 0.69678 0.68106 0.92538 1.00000
I4 I 0.30322 0.31894 0.07462 1.00000
I5 I 0.82481 0.81010 0.54027 1.00000
I6 I 0.17519 0.18990 0.45973 1.00000
Cl1 Cl 0.43816 0.39578 0.72791 1.00000
Cl2 Cl 0.56184 0.60422 0.27209 1.00000
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