Nd4Er4Tm3
Alexandria ALEXAlex-ID: agm005704178 · 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
A3B4C4_54_spg12
ErTm2 Er2Tm Nd
2023-07-02 01:23:40.314026
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005704178).
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 agm005704178
data_agm005704178
_cell_length_a 3.56513
_cell_length_b 6.17481
_cell_length_c 17.07013
_cell_angle_alpha 86.72384
_cell_angle_beta 102.06483
_cell_angle_gamma 106.71311
_cell_volume 351.95563
_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 0.72599 0.09202 0.17976 1.00000
Nd2 Nd 0.18268 0.27006 0.54666 1.00000
Nd3 Nd 0.81729 0.72997 0.45334 1.00000
Nd4 Nd 0.27398 0.90800 0.82024 1.00000
Er1 Er 0.36304 0.54780 0.08986 1.00000
Er2 Er 0.63693 0.45224 0.91014 1.00000
Er3 Er 0.54587 0.81232 0.63891 1.00000
Er4 Er 0.45412 0.18770 0.36109 1.00000
Tm1 Tm 0.08822 0.63704 0.27006 1.00000
Tm2 Tm 0.91176 0.36298 0.72995 1.00000
Tm3 Tm 0.99998 0.00002 0.99999 1.00000
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