Cr2Fe3Ni(BAu)2
Alexandria ALEXAlex-ID: agm010719969 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2E3_4_spg10
FeNi CrB Au Fe
2024-05-28 09:27:04.359235
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010719969).
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 agm010719969
data_agm010719969
_cell_length_a 3.21482
_cell_length_b 8.63706
_cell_length_c 8.82040
_cell_angle_alpha 87.53857
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 244.68667
_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 0.00000 0.28903 0.84003 1.00000
Cr2 Cr 0.00000 0.71097 0.15997 1.00000
Cr3 Cr 0.00000 0.87045 0.73019 1.00000
Cr4 Cr 0.00000 0.12955 0.26981 1.00000
Fe1 Fe 0.50000 0.92434 0.20148 1.00000
Fe2 Fe 0.50000 0.07566 0.79852 1.00000
Fe3 Fe 0.50000 0.70510 0.41011 1.00000
Fe4 Fe 0.50000 0.29490 0.58989 1.00000
Fe5 Fe 0.50000 0.80105 0.94375 1.00000
Fe6 Fe 0.50000 0.19895 0.05625 1.00000
Ni1 Ni 0.00000 0.50000 0.50000 1.00000
Ni2 Ni 0.00000 0.00000 0.00000 1.00000
B1 B 0.00000 0.86167 0.35049 1.00000
B2 B 0.00000 0.13833 0.64951 1.00000
B3 B 0.00000 0.32090 0.09618 1.00000
B4 B 0.00000 0.67910 0.90382 1.00000
Au1 Au 0.50000 0.50000 0.00000 1.00000
Au2 Au 0.50000 0.00000 0.50000 1.00000
Au3 Au 0.50000 0.39680 0.29958 1.00000
Au4 Au 0.50000 0.60320 0.70042 1.00000
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