La(Tb2Tm)2
Alexandria ALEXAlex-ID: agm005872276 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_2838_spg1
Tb5Tm4 TbTm5 La3Tb5
2023-10-13 19:03:31
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005872276).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005872276
data_agm005872276
_cell_length_a 7.07437
_cell_length_b 8.61295
_cell_length_c 8.84100
_cell_angle_alpha 114.69396
_cell_angle_beta 101.38509
_cell_angle_gamma 101.74040
_cell_volume 454.40068
_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 0.72019 0.67776 0.43591 1.00000
Tm2 Tm 0.12649 0.13208 0.60649 1.00000
Tm3 Tm 0.80271 0.41486 0.03609 1.00000
Tm4 Tm 0.44513 0.83471 0.17397 1.00000
Tb1 Tb 0.62457 0.12655 0.60402 1.00000
Tb2 Tb 0.52781 0.56438 0.77213 1.00000
Tb3 Tb 0.33244 0.23973 0.31616 1.00000
Tb4 Tb 0.82815 0.24243 0.31629 1.00000
Tb5 Tb 0.02716 0.56472 0.77413 1.00000
Tb6 Tb 0.94459 0.83794 0.17901 1.00000
Tb7 Tb 0.30821 0.41325 0.03774 1.00000
Tb8 Tb 0.42084 0.01195 0.90284 1.00000
La1 La 0.22187 0.68030 0.44610 1.00000
La2 La 0.91984 0.00934 0.89915 1.00000
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