Zr2Re2Mo
Alexandria ALEXAlex-ID: agm002951952 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_5_spg139
Zr21Re25 Zr2ReMo3 ZrRe2
2023-03-27 07:14:57.375803
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002951952).
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 agm002951952
data_agm002951952
_cell_length_a 4.12773
_cell_length_b 4.12773
_cell_length_c 6.60121
_cell_angle_alpha 71.78105
_cell_angle_beta 71.78105
_cell_angle_gamma 90.00000
_cell_volume 100.88086
_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
Re1 Re 0.40285 0.40285 0.19431 1.00000
Re2 Re 0.59715 0.59715 0.80569 1.00000
Mo1 Mo 0.00000 0.00000 0.00000 1.00000
Zr1 Zr 0.75000 0.25000 0.50000 1.00000
Zr2 Zr 0.25000 0.75000 0.50000 1.00000
