La4Pm3Th2
Alexandria ALEXAlex-ID: agm005652570 · 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
A2B3C4_845_spg12
La7Pm LaPm LaTh4
2023-06-30 20:24:28.499540
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005652570).
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 agm005652570
data_agm005652570
_cell_length_a 6.30426
_cell_length_b 14.14435
_cell_length_c 15.07116
_cell_angle_alpha 155.34495
_cell_angle_beta 110.58537
_cell_angle_gamma 89.66086
_cell_volume 312.69912
_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 0.77961 0.22211 0.33949 1.00000
La2 La 0.22039 0.77789 0.66051 1.00000
La3 La 0.89546 0.10714 0.66033 1.00000
La4 La 0.10454 0.89286 0.33967 1.00000
Pm1 Pm 0.43770 0.56168 0.33557 1.00000
Pm2 Pm 0.00000 0.00000 0.00000 1.00000
Pm3 Pm 0.56230 0.43832 0.66443 1.00000
Th1 Th 0.33440 0.66618 0.99808 1.00000
Th2 Th 0.66560 0.33382 0.00192 1.00000
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