Pm6Ni8Br
Alexandria ALEXAlex-ID: agm072000398 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_568_spg69
PmNi2 Pm2Ni2Br PmNi
2024-10-06 21:49:47.530765
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072000398).
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 agm072000398
data_agm072000398
_cell_length_a 12.70485
_cell_length_b 12.67228
_cell_length_c 5.43068
_cell_angle_alpha 77.97902
_cell_angle_beta 77.30779
_cell_angle_gamma 24.71319
_cell_volume 356.52632
_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 0.74976 0.74976 0.25024 1.00000
Pm2 Pm 0.15223 0.63394 0.36606 1.00000
Pm3 Pm 0.63394 0.15223 0.84777 1.00000
Pm4 Pm 0.25024 0.25024 0.74976 1.00000
Pm5 Pm 0.84777 0.36606 0.63394 1.00000
Pm6 Pm 0.36606 0.84777 0.15223 1.00000
Ni1 Ni 0.09484 0.61065 0.90516 1.00000
Ni2 Ni 0.90516 0.38935 0.09484 1.00000
Ni3 Ni 0.29943 0.29943 0.20057 1.00000
Ni4 Ni 0.38935 0.90516 0.61065 1.00000
Ni5 Ni 0.79943 0.79943 0.70057 1.00000
Ni6 Ni 0.70057 0.70057 0.79943 1.00000
Ni7 Ni 0.61065 0.09484 0.38935 1.00000
Ni8 Ni 0.20057 0.20057 0.29943 1.00000
Br1 Br 0.50000 0.50000 0.50000 1.00000
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