Nd2Er5Tm4
Alexandria ALEXAlex-ID: agm005647910 · 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
ErTm2 Er2Tm Nd
2023-06-24 07:53:49.704708
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005647910).
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 agm005647910
data_agm005647910
_cell_length_a 3.53158
_cell_length_b 9.34099
_cell_length_c 11.70363
_cell_angle_alpha 106.56506
_cell_angle_beta 81.33056
_cell_angle_gamma 112.25697
_cell_volume 342.09172
_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 0.86339 0.27290 0.81801 1.00000
Nd2 Nd 0.13661 0.72710 0.18199 1.00000
Er1 Er 0.95641 0.09305 0.27372 1.00000
Er2 Er 0.04359 0.90695 0.72628 1.00000
Er3 Er 0.58919 0.81717 0.45603 1.00000
Er4 Er 0.50000 0.00000 0.00000 1.00000
Er5 Er 0.41081 0.18283 0.54397 1.00000
Tm1 Tm 0.77138 0.45361 0.36453 1.00000
Tm2 Tm 0.31428 0.36106 0.09374 1.00000
Tm3 Tm 0.22862 0.54639 0.63547 1.00000
Tm4 Tm 0.68572 0.63894 0.90626 1.00000
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