Ni8PtRh6
Alexandria ALEXAlex-ID: agm006036618 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_190_spg2
Ni3Pt Ni Rh
2023-08-31 10:19:28.462354
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006036618).
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 agm006036618
data_agm006036618
_cell_length_a 6.92684
_cell_length_b 6.93227
_cell_length_c 6.93403
_cell_angle_alpha 38.29369
_cell_angle_beta 85.80942
_cell_angle_gamma 73.38530
_cell_volume 191.19143
_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
Ni1 Ni 0.66550 0.06421 0.40458 1.00000
Ni2 Ni 0.66752 0.26692 0.59482 1.00000
Ni3 Ni 0.00157 0.59986 0.60109 1.00000
Ni4 Ni 0.66733 0.66795 0.99926 1.00000
Ni5 Ni 0.33267 0.33205 0.00074 1.00000
Ni6 Ni 0.99843 0.40014 0.39891 1.00000
Ni7 Ni 0.33248 0.73308 0.40518 1.00000
Ni8 Ni 0.33450 0.93579 0.59542 1.00000
Pt1 Pt 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.33727 0.13923 0.79354 1.00000
Rh2 Rh 0.00138 0.19976 0.20457 1.00000
Rh3 Rh 0.34279 0.52379 0.20157 1.00000
Rh4 Rh 0.65721 0.47621 0.79843 1.00000
Rh5 Rh 0.99862 0.80024 0.79543 1.00000
Rh6 Rh 0.66273 0.86077 0.20646 1.00000
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