LaPbF7
Alexandria ALEXAlex-ID: agm024187646 · 空间群: P2_1 (#4)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC7_8_spg4
LaPbF7
2024-08-26 01:14:53.502956
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024187646).
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 agm024187646
data_agm024187646
_cell_length_a 6.13250
_cell_length_b 6.38678
_cell_length_c 8.71066
_cell_angle_alpha 76.86422
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 332.24322
_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
La1 La 0.75561 0.15595 0.80917 1.00000
La2 La 0.25561 0.84405 0.19083 1.00000
Pb1 Pb 0.75846 0.31306 0.27372 1.00000
Pb2 Pb 0.25846 0.68694 0.72628 1.00000
F1 F 0.48875 0.01455 0.99307 1.00000
F2 F 0.98875 0.98545 0.00693 1.00000
F3 F 0.49177 0.44052 0.73985 1.00000
F4 F 0.99177 0.55948 0.26015 1.00000
F5 F 0.75599 0.27680 0.51840 1.00000
F6 F 0.25599 0.72320 0.48160 1.00000
F7 F 0.01917 0.44422 0.74355 1.00000
F8 F 0.51917 0.55578 0.25645 1.00000
F9 F 0.51606 0.91102 0.70231 1.00000
F10 F 0.01606 0.08898 0.29769 1.00000
F11 F 0.51655 0.07382 0.29807 1.00000
F12 F 0.01655 0.92618 0.70193 1.00000
F13 F 0.75964 0.36690 0.02791 1.00000
F14 F 0.25964 0.63310 0.97209 1.00000
获取直接链接