Ni5C7
Alexandria ALEXAlex-ID: agm005508680 · Space group: I4mm (#107)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A5B7_39_spg107
C Ni
2023-03-28 22:53:30
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005508680).
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
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# CIF generated by HEAS from Alexandria entry agm005508680
data_agm005508680
_cell_length_a 5.16104
_cell_length_b 5.16104
_cell_length_c 5.16104
_cell_angle_alpha 100.94387
_cell_angle_beta 100.94387
_cell_angle_gamma 128.33848
_cell_volume 97.05316
_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 0.88415 0.88415 0.00000 1.00000
Ni2 Ni 0.67271 0.27803 1.00000 1.00000
Ni3 Ni 0.27803 0.67271 1.00000 1.00000
Ni4 Ni 0.67271 0.67271 0.39468 1.00000
Ni5 Ni 0.27803 0.27803 0.60532 1.00000
C1 C 0.30033 0.30033 0.00000 1.00000
C2 C 0.51825 0.01825 0.50000 1.00000
C3 C 0.01825 0.51825 0.50000 1.00000
C4 C 0.76938 0.10590 0.33652 1.00000
C5 C 0.76938 0.43286 0.66348 1.00000
C6 C 0.43286 0.76938 0.66348 1.00000
C7 C 0.10590 0.76938 0.33652 1.00000
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