LaPm2DyTl2
Alexandria ALEXAlex-ID: agm004740407 · 空间群: Pmc2_1 (#26)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D2_280_spg26
Pm3Dy5 Pm2Tl La2Dy3Tl4 La5Tl3
2022-07-11 07:22:55.892556
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004740407).
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 agm004740407
data_agm004740407
_cell_length_a 5.24839
_cell_length_b 6.92307
_cell_length_c 10.27976
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 373.51477
_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 0.00000 0.95698 0.45585 1.00000
La2 La 0.00000 0.45698 0.54415 1.00000
Pm1 Pm 0.50000 0.05442 0.04605 1.00000
Pm2 Pm 0.00000 0.33243 0.18135 1.00000
Pm3 Pm 0.50000 0.55442 0.95395 1.00000
Pm4 Pm 0.00000 0.83243 0.81865 1.00000
Dy1 Dy 0.50000 0.18054 0.69197 1.00000
Dy2 Dy 0.50000 0.68054 0.30803 1.00000
Tl1 Tl 0.00000 0.29761 0.86158 1.00000
Tl2 Tl 0.50000 0.22361 0.36710 1.00000
Tl3 Tl 0.00000 0.79761 0.13842 1.00000
Tl4 Tl 0.50000 0.72361 0.63290 1.00000
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