La2Tb2Pm3
Alexandria ALEXAlex-ID: agm009801331 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C3_101_spg12
La3Tb4Pm Tb5Pm3 LaPm
2025-05-02 18:13:37
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009801331).
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
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# CIF generated by HEAS from Alexandria entry agm009801331
data_agm009801331
_cell_length_a 6.31099
_cell_length_b 6.31099
_cell_length_c 8.17960
_cell_angle_alpha 82.51087
_cell_angle_beta 97.48913
_cell_angle_gamma 131.46436
_cell_volume 241.62257
_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 0.21367 0.78633 0.64288 1.00000
La2 La 0.78633 0.21367 0.35712 1.00000
Tb1 Tb 0.07217 0.92783 0.20911 1.00000
Tb2 Tb 0.92783 0.07217 0.79089 1.00000
Pm1 Pm 0.50000 0.50000 0.50000 1.00000
Pm2 Pm 0.35796 0.64204 0.07290 1.00000
Pm3 Pm 0.64204 0.35796 0.92710 1.00000
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