V3(CrMo2)2
Alexandria ALEXAlex-ID: agm005640076 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_279_spg15
VCr2 VMo2
2023-06-29 06:01:26.268085
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005640076).
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 agm005640076
data_agm005640076
_cell_length_a 4.87511
_cell_length_b 7.43785
_cell_length_c 7.43809
_cell_angle_alpha 80.78232
_cell_angle_beta 80.60480
_cell_angle_gamma 80.60320
_cell_volume 260.03688
_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 0.95746 0.03327 0.16408 1.00000
V2 V 0.54253 0.83590 0.96677 1.00000
V3 V 0.04254 0.96673 0.83592 1.00000
V4 V 0.45747 0.16410 0.03323 1.00000
V5 V 0.24999 0.49970 0.50030 1.00000
V6 V 0.75001 0.50030 0.49970 1.00000
Cr1 Cr 0.58805 0.19634 0.36635 1.00000
Cr2 Cr 0.91193 0.63365 0.80365 1.00000
Cr3 Cr 0.41195 0.80366 0.63365 1.00000
Cr4 Cr 0.08807 0.36635 0.19635 1.00000
Mo1 Mo 0.46224 0.84287 0.30526 1.00000
Mo2 Mo 0.03776 0.69474 0.15713 1.00000
Mo3 Mo 0.53776 0.15713 0.69474 1.00000
Mo4 Mo 0.96224 0.30526 0.84287 1.00000
Mo5 Mo 0.08968 0.15954 0.49578 1.00000
Mo6 Mo 0.41030 0.50424 0.84046 1.00000
Mo7 Mo 0.91032 0.84046 0.50422 1.00000
Mo8 Mo 0.58970 0.49576 0.15954 1.00000
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