Cr3NiC
Alexandria ALEXAlex-ID: agm003722697 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_1537_spg12
Cr7C3 Cr22NiC6 Ni
2022-04-15 13:36:09.300852
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003722697).
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 agm003722697
data_agm003722697
_cell_length_a 2.72040
_cell_length_b 5.08814
_cell_length_c 8.20279
_cell_angle_alpha 74.28141
_cell_angle_beta 89.99892
_cell_angle_gamma 74.54290
_cell_volume 105.02278
_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 0.26320 0.03992 0.38655 1.00000
Cr2 Cr 0.53964 0.48817 0.13497 1.00000
Cr3 Cr 0.14882 0.27239 0.92411 1.00000
Cr4 Cr 0.69146 0.18378 0.63977 1.00000
Cr5 Cr 0.42490 0.72089 0.67251 1.00000
Cr6 Cr 0.99659 0.57699 0.41931 1.00000
Ni1 Ni 0.80719 0.95332 0.15197 1.00000
Ni2 Ni 0.88120 0.80730 0.90713 1.00000
C1 C 0.06324 0.44244 0.67439 1.00000
C2 C 0.62482 0.31834 0.38470 1.00000
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