Pm4Ni2Cl5
Alexandria ALEXAlex-ID: agm005684651 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_178_spg71
Pm3NiCl3 PmNi PmCl3
2023-06-21 11:58:49.873303
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005684651).
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 agm005684651
data_agm005684651
_cell_length_a 3.80144
_cell_length_b 8.26651
_cell_length_c 10.03390
_cell_angle_alpha 114.32586
_cell_angle_beta 100.92085
_cell_angle_gamma 90.00000
_cell_volume 281.03890
_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 0.70029 0.70029 0.40058 1.00000
Pm2 Pm 1.00000 0.27776 1.00000 1.00000
Pm3 Pm 0.29971 0.29971 0.59942 1.00000
Pm4 Pm 0.00000 0.72224 0.00000 1.00000
Ni1 Ni 0.56160 0.56159 0.12319 1.00000
Ni2 Ni 0.43840 0.43841 0.87681 1.00000
Cl1 Cl 0.17031 0.39767 0.34062 1.00000
Cl2 Cl 0.82969 0.60233 0.65938 1.00000
Cl3 Cl 0.17031 0.94295 0.34062 1.00000
Cl4 Cl 0.50000 0.00000 0.00000 1.00000
Cl5 Cl 0.82969 0.05705 0.65938 1.00000
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