SrPmWN3
Alexandria ALEXAlex-ID: agm005030596 · 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
ABCD3_608_spg12
Pm2WN4 Sr3WN4 PmN W
2022-07-09 04:42:52.752241
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005030596).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005030596
data_agm005030596
_cell_length_a 3.98985
_cell_length_b 7.08507
_cell_length_c 7.24062
_cell_angle_alpha 104.71169
_cell_angle_beta 90.00000
_cell_angle_gamma 106.35376
_cell_volume 189.39564
_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 0.35603 0.71206 0.92718 1.00000
Sr2 Sr 0.64397 0.28794 0.07282 1.00000
Pm1 Pm 0.65920 0.31841 0.57582 1.00000
Pm2 Pm 0.34080 0.68159 0.42418 1.00000
W1 W 0.99759 0.99519 0.30477 1.00000
W2 W 0.00241 0.00481 0.69523 1.00000
N1 N 0.85128 0.70257 0.18602 1.00000
N2 N 0.84376 0.68753 0.65456 1.00000
N3 N 0.50312 0.00624 0.28326 1.00000
N4 N 0.15624 0.31247 0.34544 1.00000
N5 N 0.49688 0.99376 0.71674 1.00000
N6 N 0.14872 0.29743 0.81398 1.00000
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