Pm2GeWN5
Alexandria ALEXAlex-ID: agm005149574 · 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_210_spg36
Ge3N4 Pm2WN4 Ge
2023-01-16 18:43:09.516364
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005149574).
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 agm005149574
data_agm005149574
_cell_length_a 3.22034
_cell_length_b 7.27871
_cell_length_c 10.20253
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 102.78050
_cell_volume 233.22195
_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
Pm1 Pm 0.86602 0.73205 0.79134 1.00000
Pm2 Pm 0.11203 0.22407 0.69528 1.00000
Pm3 Pm 0.13398 0.26795 0.29134 1.00000
Pm4 Pm 0.88797 0.77593 0.19528 1.00000
Ge1 Ge 0.54608 0.09216 0.95415 1.00000
Ge2 Ge 0.45392 0.90784 0.45415 1.00000
W1 W 0.77612 0.55224 0.51329 1.00000
W2 W 0.22388 0.44776 0.01329 1.00000
N1 N 0.35292 0.70585 0.00348 1.00000
N2 N 0.68388 0.36775 0.88044 1.00000
N3 N 0.49703 0.99405 0.78853 1.00000
N4 N 0.28713 0.57426 0.64654 1.00000
N5 N 0.95056 0.90113 0.55093 1.00000
N6 N 0.64708 0.29415 0.50348 1.00000
N7 N 0.31612 0.63225 0.38044 1.00000
N8 N 0.50297 0.00595 0.28853 1.00000
N9 N 0.71287 0.42574 0.14654 1.00000
N10 N 0.04944 0.09887 0.05093 1.00000
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