CeB5Ir7
Alexandria ALEXAlex-ID: agm003679534 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C7_7_spg44
BIr2 Ce2(B2Ir3)3 BIr
2022-04-10 05:53:56.527203
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003679534).
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 agm003679534
data_agm003679534
_cell_length_a 5.05564
_cell_length_b 6.25617
_cell_length_c 6.25617
_cell_angle_alpha 85.32545
_cell_angle_beta 66.16828
_cell_angle_gamma 66.16828
_cell_volume 164.77896
_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
Ce1 Ce 0.00722 0.99278 0.99278 1.00000
B1 B 0.44973 0.98985 0.47348 1.00000
B2 B 0.08694 0.98985 0.47348 1.00000
B3 B 0.44973 0.47348 0.98985 1.00000
B4 B 0.08694 0.47348 0.98985 1.00000
B5 B 0.69718 0.80282 0.80282 1.00000
Ir1 Ir 0.67726 0.32274 0.32274 1.00000
Ir2 Ir 0.33978 0.66022 0.66022 1.00000
Ir3 Ir 0.91848 0.42098 0.74206 1.00000
Ir4 Ir 0.91848 0.74206 0.42098 1.00000
Ir5 Ir 0.24914 0.25086 0.25086 1.00000
Ir6 Ir 0.55957 0.72797 0.15289 1.00000
Ir7 Ir 0.55957 0.15289 0.72797 1.00000
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