Sr2VWN5
Alexandria ALEXAlex-ID: agm005162702 · 空间群: Cmc2_1 (#36)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_219_spg36
SrN6 Sr3W5N12 Sr2VN3 VN
2023-01-17 01:26:12.297505
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005162702).
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 agm005162702
data_agm005162702
_cell_length_a 3.23399
_cell_length_b 7.48312
_cell_length_c 10.96206
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 102.47923
_cell_volume 259.01808
_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
Sr1 Sr 0.86687 0.73374 0.82098 1.00000
Sr2 Sr 0.10560 0.21120 0.67637 1.00000
Sr3 Sr 0.13313 0.26626 0.32099 1.00000
Sr4 Sr 0.89440 0.78880 0.17637 1.00000
V1 V 0.55780 0.11561 0.93665 1.00000
V2 V 0.44220 0.88439 0.43665 1.00000
W1 W 0.78675 0.57351 0.53195 1.00000
W2 W 0.21325 0.42649 0.03195 1.00000
N1 N 0.33498 0.66996 0.00331 1.00000
N2 N 0.68211 0.36421 0.89522 1.00000
N3 N 0.50108 0.00216 0.79997 1.00000
N4 N 0.29387 0.58774 0.63971 1.00000
N5 N 0.95799 0.91599 0.51979 1.00000
N6 N 0.66502 0.33004 0.50331 1.00000
N7 N 0.31789 0.63579 0.39522 1.00000
N8 N 0.49892 0.99784 0.29997 1.00000
N9 N 0.70613 0.41226 0.13971 1.00000
N10 N 0.04201 0.08401 0.01979 1.00000
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