U2CrRe5B2
Alexandria ALEXAlex-ID: agm032162553 · Space group: P4/mbm (#127)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D5_6_spg127
UReB3 U2Re CrB Re
2024-12-15 18:35:29
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm032162553).
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 agm032162553
data_agm032162553
_cell_length_a 9.63511
_cell_length_b 9.63511
_cell_length_c 3.08593
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 286.48345
_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
U1 U 0.67650 0.17650 0.00000 1.00000
U2 U 0.32350 0.82350 0.00000 1.00000
U3 U 0.82350 0.67650 0.00000 1.00000
U4 U 0.17650 0.32350 0.00000 1.00000
Cr1 Cr 0.50000 0.50000 0.00000 1.00000
Cr2 Cr 0.00000 0.00000 0.00000 1.00000
Re1 Re 0.57025 0.71193 0.50000 1.00000
Re2 Re 0.42975 0.28807 0.50000 1.00000
Re3 Re 0.28807 0.57025 0.50000 1.00000
Re4 Re 0.92975 0.21193 0.50000 1.00000
Re5 Re 0.71193 0.42975 0.50000 1.00000
Re6 Re 0.07025 0.78807 0.50000 1.00000
Re7 Re 0.21193 0.07025 0.50000 1.00000
Re8 Re 0.78807 0.92975 0.50000 1.00000
Re9 Re 0.50000 0.00000 0.50000 1.00000
Re10 Re 0.00000 0.50000 0.50000 1.00000
B1 B 0.12390 0.62390 0.00000 1.00000
B2 B 0.87610 0.37610 0.00000 1.00000
B3 B 0.37610 0.12390 0.00000 1.00000
B4 B 0.62390 0.87610 0.00000 1.00000
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