Cr4Ni3
Alexandria ALEXAlex-ID: agm005488290 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4_16_spg71
CrNi2 Cr
2023-03-17 23:34:42.821876
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005488290).
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 agm005488290
data_agm005488290
_cell_length_a 9.69492
_cell_length_b 9.69492
_cell_length_c 9.69492
_cell_angle_alpha 162.56354
_cell_angle_beta 162.56354
_cell_angle_gamma 24.75594
_cell_volume 81.79652
_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 0.85516 0.85516 0.00000 1.00000
Cr2 Cr 0.57623 0.57623 0.00000 1.00000
Cr3 Cr 0.42377 0.42377 0.00000 1.00000
Cr4 Cr 0.14484 0.14484 0.00000 1.00000
Ni1 Ni 0.00000 0.00000 0.00000 1.00000
Ni2 Ni 0.71548 0.71548 0.00000 1.00000
Ni3 Ni 0.28452 0.28452 0.00000 1.00000
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