Y7(ReSe)2
Alexandria ALEXAlex-ID: agm008254751 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C7_82_spg44
YRe2 Y YSe
2024-06-01 16:25:31.202983
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008254751).
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 agm008254751
data_agm008254751
_cell_length_a 9.05598
_cell_length_b 9.05598
_cell_length_c 9.05598
_cell_angle_alpha 154.46368
_cell_angle_beta 118.50669
_cell_angle_gamma 67.69273
_cell_volume 278.77639
_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
Y1 Y 0.29428 0.18341 0.11087 1.00000
Y2 Y 0.87358 0.14221 0.73137 1.00000
Y3 Y 0.97150 0.50000 0.47150 1.00000
Y4 Y 0.26894 0.37342 0.89551 1.00000
Y5 Y 0.52209 0.62658 0.89551 1.00000
Y6 Y 0.92746 0.81659 0.11087 1.00000
Y7 Y 0.58916 0.85779 0.73137 1.00000
Re1 Re 0.67882 0.26669 0.41213 1.00000
Re2 Re 0.14544 0.73331 0.41213 1.00000
Se1 Se 0.23423 0.00000 0.23423 1.00000
Se2 Se 0.64062 0.50000 0.14062 1.00000
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