Tb4SmSi4
Alexandria ALEXAlex-ID: agm015137271 · 空间群: P2_12_12_1 (#19)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C4_63_spg19
Tb(SmSi)2 Tb5Si3 TbSi
2024-12-23 17:40:11
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm015137271).
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 agm015137271
data_agm015137271
_cell_length_a 7.51254
_cell_length_b 7.75379
_cell_length_c 14.71580
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 857.20534
_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 0.89503 0.98802 0.49970 1.00000
Tb2 Tb 0.39503 0.51198 0.50030 1.00000
Tb3 Tb 0.60497 0.01198 0.99970 1.00000
Tb4 Tb 0.10497 0.48802 0.00030 1.00000
Tb5 Tb 0.93534 0.82087 0.12673 1.00000
Tb6 Tb 0.43534 0.67913 0.87327 1.00000
Tb7 Tb 0.56466 0.17913 0.62673 1.00000
Tb8 Tb 0.06466 0.32087 0.37327 1.00000
Tb9 Tb 0.56522 0.18013 0.37176 1.00000
Tb10 Tb 0.06522 0.31987 0.62824 1.00000
Tb11 Tb 0.93478 0.81987 0.87176 1.00000
Tb12 Tb 0.43478 0.68013 0.12824 1.00000
Tb13 Tb 0.28463 0.18466 0.85073 1.00000
Tb14 Tb 0.78463 0.31534 0.14927 1.00000
Tb15 Tb 0.21537 0.81534 0.35073 1.00000
Tb16 Tb 0.71537 0.68466 0.64927 1.00000
Sm1 Sm 0.21901 0.81707 0.65198 1.00000
Sm2 Sm 0.71901 0.68293 0.34802 1.00000
Sm3 Sm 0.28099 0.18293 0.15198 1.00000
Sm4 Sm 0.78099 0.31707 0.84802 1.00000
Si1 Si 0.10488 0.53004 0.21047 1.00000
Si2 Si 0.60488 0.96996 0.78953 1.00000
Si3 Si 0.39512 0.46996 0.71047 1.00000
Si4 Si 0.89512 0.03004 0.28953 1.00000
Si5 Si 0.38868 0.47440 0.29202 1.00000
Si6 Si 0.88868 0.02560 0.70798 1.00000
Si7 Si 0.11132 0.52560 0.79202 1.00000
Si8 Si 0.61132 0.97440 0.20798 1.00000
Si9 Si 0.01050 0.62432 0.50069 1.00000
Si10 Si 0.51050 0.87568 0.49931 1.00000
Si11 Si 0.48950 0.37568 0.00069 1.00000
Si12 Si 0.98950 0.12432 0.99931 1.00000
Si13 Si 0.26875 0.10540 0.49979 1.00000
Si14 Si 0.76875 0.39460 0.50021 1.00000
Si15 Si 0.23125 0.89460 0.99979 1.00000
Si16 Si 0.73125 0.60540 0.00021 1.00000
