V3CrW6
Alexandria ALEXAlex-ID: agm006050007 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C6_1566_spg11
VCr2 V2Cr3 V2W5
2023-10-16 16:06:46
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006050007).
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 agm006050007
data_agm006050007
_cell_length_a 3.11241
_cell_length_b 15.47323
_cell_length_c 6.95034
_cell_angle_alpha 116.83457
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 298.67649
_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 0.75000 0.32708 0.37491 1.00000
V2 V 0.25000 0.67292 0.62509 1.00000
V3 V 0.75000 0.72304 0.37472 1.00000
V4 V 0.25000 0.27696 0.62528 1.00000
V5 V 0.75000 0.02518 0.87836 1.00000
V6 V 0.25000 0.97482 0.12164 1.00000
Cr1 Cr 0.75000 0.62338 0.87050 1.00000
Cr2 Cr 0.25000 0.37662 0.12950 1.00000
W1 W 0.75000 0.12655 0.37651 1.00000
W2 W 0.25000 0.87345 0.62349 1.00000
W3 W 0.75000 0.23079 0.88228 1.00000
W4 W 0.25000 0.76921 0.11772 1.00000
W5 W 0.75000 0.82256 0.87120 1.00000
W6 W 0.25000 0.17744 0.12880 1.00000
W7 W 0.75000 0.52420 0.37402 1.00000
W8 W 0.25000 0.47580 0.62598 1.00000
W9 W 0.75000 0.42311 0.87706 1.00000
W10 W 0.25000 0.57689 0.12294 1.00000
W11 W 0.75000 0.92397 0.37031 1.00000
W12 W 0.25000 0.07603 0.62969 1.00000
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