La3TbPm6
Alexandria ALEXAlex-ID: agm003570397 · 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
AB3C6_284_spg36
Tb5Pm3 Pm LaPm
2022-03-29 15:59:18.541200
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003570397).
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 agm003570397
data_agm003570397
_cell_length_a 6.36896
_cell_length_b 10.65580
_cell_length_c 10.65580
_cell_angle_alpha 101.29956
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 709.15197
_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 0.45553 0.86560 0.71913 1.00000
La2 La 0.95553 0.71913 0.86560 1.00000
La3 La 0.08607 0.36585 0.63415 1.00000
La4 La 0.58607 0.63415 0.36585 1.00000
La5 La 0.95553 0.13440 0.28087 1.00000
La6 La 0.45553 0.28087 0.13440 1.00000
Tb1 Tb 0.18659 0.15531 0.84469 1.00000
Tb2 Tb 0.68659 0.84469 0.15531 1.00000
Pm1 Pm 0.06815 0.68001 0.55981 1.00000
Pm2 Pm 0.56815 0.55981 0.68001 1.00000
Pm3 Pm 0.40282 0.56449 0.98627 1.00000
Pm4 Pm 0.90282 0.98627 0.56449 1.00000
Pm5 Pm 0.23940 0.93941 0.06059 1.00000
Pm6 Pm 0.62031 0.25871 0.74129 1.00000
Pm7 Pm 0.12031 0.74129 0.25871 1.00000
Pm8 Pm 0.73940 0.06059 0.93941 1.00000
Pm9 Pm 0.40282 0.01373 0.43551 1.00000
Pm10 Pm 0.90282 0.43551 0.01373 1.00000
Pm11 Pm 0.06815 0.44019 0.31999 1.00000
Pm12 Pm 0.56815 0.31999 0.44019 1.00000
