ZrReMo
Alexandria ALEXAlex-ID: agm003604166 · 空间群: Imma (#74)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_63_spg74
Zr2ReMo3 ZrRe2
2022-03-10 07:39:19.767403
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003604166).
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}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm003604166
data_agm003604166
_cell_length_a 5.34560
_cell_length_b 5.34560
_cell_length_c 5.34560
_cell_angle_alpha 90.17014
_cell_angle_beta 119.95154
_cell_angle_gamma 119.85213
_cell_volume 108.17206
_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
Zr1 Zr 0.25000 0.12289 0.87289 1.00000
Zr2 Zr 0.75000 0.87711 0.12711 1.00000
Re1 Re 0.00000 0.50000 0.50000 1.00000
Re2 Re 0.50000 0.00000 0.50000 1.00000
Mo1 Mo 0.50000 0.50000 0.50000 1.00000
Mo2 Mo 0.00000 0.50000 0.00000 1.00000
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