Nd2Er5Th4
Alexandria ALEXAlex-ID: agm005662155 · 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
A2B4C5_541_spg12
Er2Th Nd Th
2023-06-24 07:54:25.840195
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005662155).
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 agm005662155
data_agm005662155
_cell_length_a 3.57623
_cell_length_b 8.69992
_cell_length_c 13.75337
_cell_angle_alpha 65.76401
_cell_angle_beta 67.05319
_cell_angle_gamma 90.01506
_cell_volume 352.70698
_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
Nd1 Nd 0.31428 0.36139 0.45721 1.00000
Nd2 Nd 0.68572 0.63861 0.54279 1.00000
Er1 Er 0.03545 0.91423 0.64312 1.00000
Er2 Er 0.96455 0.08577 0.35688 1.00000
Er3 Er 0.76307 0.45392 0.82453 1.00000
Er4 Er 0.50000 0.00000 0.00000 1.00000
Er5 Er 0.23693 0.54608 0.17547 1.00000
Th1 Th 0.40179 0.17801 0.73218 1.00000
Th2 Th 0.86333 0.27247 0.09101 1.00000
Th3 Th 0.59821 0.82199 0.26782 1.00000
Th4 Th 0.13667 0.72753 0.90899 1.00000
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