V4Re2Mo
Alexandria ALEXAlex-ID: agm090945387 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_2644_spg12
V2ReMo V4ReMo3 V5Re3
2025-06-28 07:42:37
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm090945387).
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}
}
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# CIF generated by HEAS from Alexandria entry agm090945387
data_agm090945387
_cell_length_a 5.05428
_cell_length_b 5.05428
_cell_length_c 6.78630
_cell_angle_alpha 82.79970
_cell_angle_beta 97.20030
_cell_angle_gamma 144.88736
_cell_volume 98.84960
_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
V1 V 0.71193 0.28807 0.14276 1.00000
V2 V 0.28807 0.71193 0.85724 1.00000
V3 V 0.42581 0.57419 0.28527 1.00000
V4 V 0.57419 0.42581 0.71473 1.00000
Re1 Re 0.14150 0.85850 0.42886 1.00000
Re2 Re 0.85850 0.14150 0.57114 1.00000
Mo1 Mo 0.00000 0.00000 0.00000 1.00000
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