K4Sr2NbP4
Alexandria ALEXAlex-ID: agm020162668 · 空间群: Cc (#9)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4D4_82_spg1
KSrP K5SrNbP4 NbP
2024-12-09 09:58:52
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020162668).
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 agm020162668
data_agm020162668
_cell_length_a 10.19507
_cell_length_b 10.19507
_cell_length_c 7.60477
_cell_angle_alpha 88.05183
_cell_angle_beta 91.94817
_cell_angle_gamma 60.80395
_cell_volume 688.45693
_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
K1 K 0.93984 0.52768 0.60300 1.00000
K2 K 0.47232 0.06016 0.10300 1.00000
K3 K 0.73851 0.12708 0.81968 1.00000
K4 K 0.12306 0.74315 0.75733 1.00000
K5 K 0.13149 0.13498 0.79015 1.00000
K6 K 0.25685 0.87694 0.25733 1.00000
K7 K 0.87292 0.26149 0.31968 1.00000
K8 K 0.86502 0.86851 0.29015 1.00000
Sr1 Sr 0.53372 0.93001 0.59663 1.00000
Sr2 Sr 0.52832 0.52670 0.61572 1.00000
Sr3 Sr 0.06999 0.46628 0.09663 1.00000
Sr4 Sr 0.47330 0.47168 0.11572 1.00000
Nb1 Nb 0.33608 0.33463 0.50430 1.00000
Nb2 Nb 0.66537 0.66392 0.00430 1.00000
P1 P 0.32885 0.36225 0.82466 1.00000
P2 P 0.63775 0.67115 0.32466 1.00000
P3 P 0.41418 0.78565 0.86556 1.00000
P4 P 0.78973 0.40669 0.91686 1.00000
P5 P 0.79763 0.78795 0.89661 1.00000
P6 P 0.59331 0.21027 0.41686 1.00000
P7 P 0.21435 0.58582 0.36556 1.00000
P8 P 0.21205 0.20237 0.39661 1.00000
