Cr2GaNi8
Alexandria ALEXAlex-ID: agm005990465 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_280_spg71
CrGa2Ni9 Ni CrNi2
2023-10-12 13:30:43.272858
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005990465).
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 agm005990465
data_agm005990465
_cell_length_a 3.92092
_cell_length_b 6.07789
_cell_length_c 6.46745
_cell_angle_alpha 119.92333
_cell_angle_beta 107.60366
_cell_angle_gamma 90.17518
_cell_volume 125.09450
_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
Cr1 Cr 0.20905 0.76354 0.41907 1.00000
Cr2 Cr 0.79095 0.23646 0.58093 1.00000
Ga1 Ga 0.50000 0.00000 0.00000 1.00000
Ni1 Ni 0.61018 0.77341 0.22155 1.00000
Ni2 Ni 0.32317 0.54986 0.64654 1.00000
Ni3 Ni 0.15450 0.10155 0.30868 1.00000
Ni4 Ni 0.03260 0.34157 0.06393 1.00000
Ni5 Ni 0.84550 0.89845 0.69132 1.00000
Ni6 Ni 0.67683 0.45014 0.35346 1.00000
Ni7 Ni 0.38982 0.22659 0.77845 1.00000
Ni8 Ni 0.96740 0.65843 0.93607 1.00000
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