V8Cr2Ge
Alexandria ALEXAlex-ID: agm003522845 · 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
AB2C8_744_spg12
V13Ge3 V7Ge V5Cr3
2022-03-18 12:48:32.235625
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003522845).
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 agm003522845
data_agm003522845
_cell_length_a 4.71506
_cell_length_b 5.89775
_cell_length_c 5.89775
_cell_angle_alpha 90.19350
_cell_angle_beta 85.16982
_cell_angle_gamma 85.16982
_cell_volume 162.83457
_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 0.71542 0.08734 0.59944 1.00000
V2 V 0.28458 0.40056 0.91266 1.00000
V3 V 0.92952 0.29536 0.29536 1.00000
V4 V 0.07048 0.70464 0.70464 1.00000
V5 V 0.71542 0.59944 0.08734 1.00000
V6 V 0.28458 0.91266 0.40056 1.00000
V7 V 0.33925 0.41601 0.41601 1.00000
V8 V 0.66075 0.58399 0.58399 1.00000
Cr1 Cr 0.51137 0.13957 0.13957 1.00000
Cr2 Cr 0.48863 0.86043 0.86043 1.00000
Ge1 Ge 0.00000 0.00000 0.00000 1.00000
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