VCr9Mo2
Alexandria ALEXAlex-ID: agm054222626 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C9_0_spg166
VCr5 VMo6 Cr
2024-10-23 00:31:12.897016
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm054222626).
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 agm054222626
data_agm054222626
_cell_length_a 8.39543
_cell_length_b 8.39543
_cell_length_c 8.39543
_cell_angle_alpha 32.97637
_cell_angle_beta 32.97637
_cell_angle_gamma 32.97637
_cell_volume 156.00069
_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 0.00000 0.00000 0.00000 1.00000
Cr1 Cr 0.66787 0.66787 0.66787 1.00000
Cr2 Cr 0.33213 0.33213 0.33213 1.00000
Cr3 Cr 0.50000 0.50000 0.50000 1.00000
Cr4 Cr 0.91829 0.41308 0.41308 1.00000
Cr5 Cr 0.41308 0.41308 0.91829 1.00000
Cr6 Cr 0.41308 0.91829 0.41308 1.00000
Cr7 Cr 0.08171 0.58692 0.58692 1.00000
Cr8 Cr 0.58692 0.08171 0.58692 1.00000
Cr9 Cr 0.58692 0.58692 0.08171 1.00000
Mo1 Mo 0.85526 0.85526 0.85526 1.00000
Mo2 Mo 0.14474 0.14474 0.14474 1.00000
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