Pm4P2Cl3
Alexandria ALEXAlex-ID: agm005694567 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_352_spg164
Pm3P2Cl Pm2PCl2 Pm
2023-06-27 22:40:05.721123
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005694567).
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 agm005694567
data_agm005694567
_cell_length_a 4.08519
_cell_length_b 4.08519
_cell_length_c 17.04374
_cell_angle_alpha 90.05528
_cell_angle_beta 89.94471
_cell_angle_gamma 120.00019
_cell_volume 246.33130
_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 0.33365 0.66635 0.88423 1.00000
Pm2 Pm 0.99921 0.00079 0.29647 1.00000
Pm3 Pm 0.00079 0.99921 0.70353 1.00000
Pm4 Pm 0.66635 0.33365 0.11577 1.00000
P1 P 0.66721 0.33279 0.79638 1.00000
P2 P 0.33279 0.66721 0.20362 1.00000
Cl1 Cl 0.66562 0.33438 0.39463 1.00000
Cl2 Cl 0.00000 0.00000 0.00000 1.00000
Cl3 Cl 0.33438 0.66562 0.60537 1.00000
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