Nd8TmTh2
Alexandria ALEXAlex-ID: agm005877162 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C8_1013_spg71
Tm2Th Nd Th
2023-09-27 16:26:24
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005877162).
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 agm005877162
data_agm005877162
_cell_length_a 5.73887
_cell_length_b 8.29549
_cell_length_c 9.50945
_cell_angle_alpha 115.86003
_cell_angle_beta 107.55891
_cell_angle_gamma 89.99990
_cell_volume 383.80344
_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 0.63690 0.84300 0.27406 1.00000
Nd2 Nd 0.36313 0.56894 0.72599 1.00000
Nd3 Nd 0.15923 0.15978 0.31952 1.00000
Nd4 Nd 0.99999 0.29373 0.99999 1.00000
Nd5 Nd 0.84077 0.84022 0.68048 1.00000
Nd6 Nd 0.63687 0.43106 0.27401 1.00000
Nd7 Nd 0.36310 0.15700 0.72594 1.00000
Nd8 Nd 0.00001 0.70627 0.00001 1.00000
Tm1 Tm 0.50000 0.00000 0.00000 1.00000
Th1 Th 0.20120 0.70069 0.40150 1.00000
Th2 Th 0.79880 0.29931 0.59850 1.00000
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