Co6NiPt12
Alexandria ALEXAlex-ID: agm006118971 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C12_76_spg148
CoNiPt2 CoPt2
2023-08-25 16:58:58.148239
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006118971).
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 agm006118971
data_agm006118971
_cell_length_a 6.66493
_cell_length_b 7.18858
_cell_length_c 7.18858
_cell_angle_alpha 69.10045
_cell_angle_beta 71.99791
_cell_angle_gamma 108.00209
_cell_volume 269.78301
_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
Co1 Co 0.41824 0.46775 0.21221 1.00000
Co2 Co 0.04950 0.67996 0.53225 1.00000
Co3 Co 0.36955 0.78779 0.67996 1.00000
Co4 Co 0.58176 0.53225 0.78779 1.00000
Co5 Co 0.95050 0.32004 0.46775 1.00000
Co6 Co 0.63045 0.21221 0.32004 1.00000
Ni1 Ni 0.00000 0.00000 0.00000 1.00000
Pt1 Pt 0.52408 0.84520 0.26935 1.00000
Pt2 Pt 0.67888 0.88545 0.84520 1.00000
Pt3 Pt 0.79343 0.26935 0.88545 1.00000
Pt4 Pt 0.47592 0.15480 0.73065 1.00000
Pt5 Pt 0.32112 0.11455 0.15480 1.00000
Pt6 Pt 0.20657 0.73065 0.11455 1.00000
Pt7 Pt 0.26193 0.42609 0.62787 1.00000
Pt8 Pt 0.11020 0.37213 0.05395 1.00000
Pt9 Pt 0.16415 0.05395 0.57391 1.00000
Pt10 Pt 0.73807 0.57391 0.37213 1.00000
Pt11 Pt 0.88980 0.62787 0.94605 1.00000
Pt12 Pt 0.83585 0.94605 0.42609 1.00000
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