Tb5PrSm2Th
Alexandria ALEXAlex-ID: agm005166310 · 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_204_spg36
Tb4PrSm3 Tb2Th3 Tb5Pr
2023-01-19 13:54:33.301914
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005166310).
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 agm005166310
data_agm005166310
_cell_length_a 5.67971
_cell_length_b 10.50568
_cell_length_c 10.49304
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 105.68308
_cell_volume 602.80257
_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
Tb1 Tb 0.38768 0.77536 0.02473 1.00000
Tb2 Tb 0.72464 0.44928 0.81810 1.00000
Tb3 Tb 0.47821 0.95641 0.73712 1.00000
Tb4 Tb 0.29745 0.59490 0.70940 1.00000
Tb5 Tb 0.98355 0.96709 0.52329 1.00000
Tb6 Tb 0.61232 0.22464 0.52473 1.00000
Tb7 Tb 0.27536 0.55072 0.31810 1.00000
Tb8 Tb 0.52179 0.04359 0.23712 1.00000
Tb9 Tb 0.70255 0.40510 0.20940 1.00000
Tb10 Tb 0.01645 0.03291 0.02329 1.00000
Pr1 Pr 0.58794 0.17589 0.94707 1.00000
Pr2 Pr 0.41206 0.82411 0.44707 1.00000
Sm1 Sm 0.88618 0.77237 0.82015 1.00000
Sm2 Sm 0.11608 0.23217 0.72921 1.00000
Sm3 Sm 0.11382 0.22763 0.32015 1.00000
Sm4 Sm 0.88392 0.76783 0.22921 1.00000
Th1 Th 0.79940 0.59880 0.51490 1.00000
Th2 Th 0.20060 0.40120 0.01490 1.00000
获取直接链接