La6ReI10
Alexandria ALEXAlex-ID: agm023945702 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C10_7_spg2
La6ReI10
2025-02-02 07:24:24
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm023945702).
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 agm023945702
data_agm023945702
_cell_length_a 8.14231
_cell_length_b 10.22004
_cell_length_c 10.18210
_cell_angle_alpha 107.70463
_cell_angle_beta 104.86476
_cell_angle_gamma 96.90247
_cell_volume 761.86965
_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
La1 La 0.88038 0.24069 0.95704 1.00000
La2 La 0.11962 0.75931 0.04296 1.00000
La3 La 0.03542 0.91345 0.71296 1.00000
La4 La 0.96458 0.08655 0.28704 1.00000
La5 La 0.65085 0.83007 0.87239 1.00000
La6 La 0.34915 0.16993 0.12761 1.00000
Re1 Re 0.00000 0.00000 0.00000 1.00000
I1 I 0.65383 0.72612 0.54705 1.00000
I2 I 0.34617 0.27388 0.45295 1.00000
I3 I 0.74379 0.54317 0.91623 1.00000
I4 I 0.25621 0.45683 0.08377 1.00000
I5 I 0.91041 0.17765 0.63087 1.00000
I6 I 0.08959 0.82235 0.36913 1.00000
I7 I 0.54484 0.91113 0.18340 1.00000
I8 I 0.45516 0.08887 0.81660 1.00000
I9 I 0.21848 0.65191 0.74201 1.00000
I10 I 0.78152 0.34809 0.25799 1.00000
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