Pm5(FeCl)2
Alexandria ALEXAlex-ID: agm005565124 · Space group: Cmce (#64)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_59_spg64
Pm7FeCl12 Pm2Fe2Cl Pm
2023-06-02 13:55:15.859093
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005565124).
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 agm005565124
data_agm005565124
_cell_length_a 8.08606
_cell_length_b 7.43339
_cell_length_c 8.57592
_cell_angle_alpha 90.00000
_cell_angle_beta 61.87221
_cell_angle_gamma 90.00000
_cell_volume 454.59309
_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 0.00000 0.00000 0.00000 1.00000
Pm2 Pm 0.50000 0.50000 0.00000 1.00000
Pm3 Pm 0.44968 0.14949 0.75300 1.00000
Pm4 Pm 0.79732 0.85051 0.75300 1.00000
Pm5 Pm 0.29732 0.64949 0.75300 1.00000
Pm6 Pm 0.94968 0.35051 0.75300 1.00000
Pm7 Pm 0.55032 0.85051 0.24700 1.00000
Pm8 Pm 0.20268 0.14949 0.24700 1.00000
Pm9 Pm 0.70268 0.35051 0.24700 1.00000
Pm10 Pm 0.05032 0.64949 0.24700 1.00000
Fe1 Fe 0.10900 0.38511 1.00000 1.00000
Fe2 Fe 0.89100 0.61489 0.00000 1.00000
Fe3 Fe 0.39100 0.88511 0.00000 1.00000
Fe4 Fe 0.60900 0.11489 1.00000 1.00000
Cl1 Cl 0.20146 0.00000 0.59708 1.00000
Cl2 Cl 0.70146 0.50000 0.59708 1.00000
Cl3 Cl 0.79854 0.00000 0.40292 1.00000
Cl4 Cl 0.29854 0.50000 0.40292 1.00000
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