Pm2I2Cl
Alexandria ALEXAlex-ID: agm005877334 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_2587_spg12
Pm2Cl3 Pm PmI2
2023-08-03 14:01:13.034891
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005877334).
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 agm005877334
data_agm005877334
_cell_length_a 4.26328
_cell_length_b 7.85804
_cell_length_c 11.73130
_cell_angle_alpha 94.09627
_cell_angle_beta 100.46911
_cell_angle_gamma 89.99998
_cell_volume 385.44657
_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 0.18561 0.91671 0.37123 1.00000
Pm2 Pm 0.81439 0.08329 0.62877 1.00000
Pm3 Pm 0.32671 0.65664 0.65342 1.00000
Pm4 Pm 0.67329 0.34336 0.34658 1.00000
I1 I 0.08382 0.18860 0.16764 1.00000
I2 I 0.91618 0.81140 0.83236 1.00000
I3 I 0.40444 0.27717 0.80888 1.00000
I4 I 0.59556 0.72283 0.19112 1.00000
Cl1 Cl 0.20574 0.56882 0.41148 1.00000
Cl2 Cl 0.79426 0.43118 0.58852 1.00000
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