Zn2Re
Alexandria ALEXAlex-ID: agm005443685 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_4_spg12
Re Zn
2023-03-22 02:20:03.621575
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005443685).
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 agm005443685
data_agm005443685
_cell_length_a 5.21334
_cell_length_b 5.21334
_cell_length_c 6.48724
_cell_angle_alpha 75.55965
_cell_angle_beta 75.55965
_cell_angle_gamma 30.86833
_cell_volume 87.38248
_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
Zn1 Zn 0.61962 0.61962 0.27632 1.00000
Zn2 Zn 0.94044 0.94044 0.61678 1.00000
Zn3 Zn 0.66324 0.66324 0.66647 1.00000
Zn4 Zn 0.27291 0.27291 0.94038 1.00000
Re1 Re 0.99573 0.99573 0.00544 1.00000
Re2 Re 0.34140 0.34140 0.32794 1.00000
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