Tm4Pb2N
Alexandria ALEXAlex-ID: agm003449367 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_1015_spg11
Tm5Pb4 Tm5Pb3 TmN
2022-02-18 09:17:29.302039
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003449367).
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 agm003449367
data_agm003449367
_cell_length_a 6.44667
_cell_length_b 6.68351
_cell_length_c 9.11338
_cell_angle_alpha 90.00000
_cell_angle_beta 110.98327
_cell_angle_gamma 90.00000
_cell_volume 366.62336
_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
Tm1 Tm 0.52949 0.50337 0.28394 1.00000
Tm2 Tm 0.14134 0.75000 0.95644 1.00000
Tm3 Tm 0.85866 0.25000 0.04356 1.00000
Tm4 Tm 0.52949 0.99663 0.28394 1.00000
Tm5 Tm 0.91761 0.25000 0.65553 1.00000
Tm6 Tm 0.47051 0.00337 0.71606 1.00000
Tm7 Tm 0.47051 0.49663 0.71606 1.00000
Tm8 Tm 0.08239 0.75000 0.34447 1.00000
Pb1 Pb 0.69675 0.75000 0.02889 1.00000
Pb2 Pb 0.30325 0.25000 0.97111 1.00000
Pb3 Pb 0.17230 0.25000 0.40535 1.00000
Pb4 Pb 0.82770 0.75000 0.59465 1.00000
N1 N 0.29997 0.75000 0.21078 1.00000
N2 N 0.70003 0.25000 0.78922 1.00000
获取直接链接