CrReNi4
Alexandria ALEXAlex-ID: agm005752735 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1911_spg12
ReNi4 Re3Ni CrNi2
2023-08-05 00:30:34.458274
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005752735).
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 agm005752735
data_agm005752735
_cell_length_a 4.36185
_cell_length_b 4.36269
_cell_length_c 4.44240
_cell_angle_alpha 79.63314
_cell_angle_beta 79.60992
_cell_angle_gamma 118.74318
_cell_volume 69.33151
_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 0.99814 0.50267 0.50128 1.00000
Re1 Re 0.49816 0.00277 0.00130 1.00000
Ni1 Ni 0.33022 0.17023 0.50143 1.00000
Ni2 Ni 0.66602 0.83506 0.50118 1.00000
Ni3 Ni 0.83242 0.66823 0.00148 1.00000
Ni4 Ni 0.16387 0.33732 0.00112 1.00000
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