La3Nd2ErTe6
Alexandria ALEXAlex-ID: agm034693292 · 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
AB2C3D6_201_spg12
La3NdTe4 NdErTe2
2025-02-13 10:49:10
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034693292).
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
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# CIF generated by HEAS from Alexandria entry agm034693292
data_agm034693292
_cell_length_a 10.08830
_cell_length_b 10.08830
_cell_length_c 9.05182
_cell_angle_alpha 77.07114
_cell_angle_beta 102.92886
_cell_angle_gamma 154.24864
_cell_volume 389.56302
_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 0.50000 0.50000 0.50000 1.00000
La2 La 0.16693 0.83307 0.33422 1.00000
La3 La 0.83307 0.16693 0.66578 1.00000
Nd1 Nd 0.82730 0.17270 0.16369 1.00000
Nd2 Nd 0.17270 0.82730 0.83631 1.00000
Er1 Er 0.50000 0.50000 0.00000 1.00000
Te1 Te 0.33985 0.66015 0.92306 1.00000
Te2 Te 0.66653 0.33347 0.58728 1.00000
Te3 Te 0.66015 0.33985 0.07694 1.00000
Te4 Te 0.00374 0.99626 0.76578 1.00000
Te5 Te 0.99626 0.00374 0.23422 1.00000
Te6 Te 0.33347 0.66653 0.41272 1.00000
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