Cr3Re5B
Alexandria ALEXAlex-ID: agm072170295 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1206_spg1
Cr5B3 Cr7Re6 Re
2024-09-25 19:37:04.413711
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072170295).
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
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# CIF generated by HEAS from Alexandria entry agm072170295
data_agm072170295
_cell_length_a 4.41525
_cell_length_b 4.48244
_cell_length_c 6.70082
_cell_angle_alpha 105.32386
_cell_angle_beta 83.84645
_cell_angle_gamma 110.26636
_cell_volume 119.96573
_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 0.20488 0.11555 0.74439 1.00000
Cr2 Cr 0.92177 0.45631 0.65888 1.00000
Cr3 Cr 0.02223 0.97761 0.04522 1.00000
Re1 Re 0.51510 0.75599 0.77929 1.00000
Re2 Re 0.39408 0.26442 0.39799 1.00000
Re3 Re 0.71504 0.35065 0.02113 1.00000
Re4 Re 0.81866 0.84615 0.41757 1.00000
Re5 Re 0.32172 0.67129 0.15893 1.00000
B1 B 0.93325 0.34662 0.32355 1.00000
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