K3Ce(NdTe3)2
Alexandria ALEXAlex-ID: agm004615595 · 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_175_spg12
KNdTe2 KCeTe2
2022-06-27 14:23:01.430238
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004615595).
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 agm004615595
data_agm004615595
_cell_length_a 8.03102
_cell_length_b 8.03102
_cell_length_c 8.67272
_cell_angle_alpha 98.87702
_cell_angle_beta 98.87702
_cell_angle_gamma 119.99996
_cell_volume 460.77814
_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
K1 K 0.16694 0.83306 0.50000 1.00000
K2 K 0.83306 0.16694 0.50000 1.00000
K3 K 0.50000 0.50000 0.50000 1.00000
Ce1 Ce 0.00000 0.00000 0.00000 1.00000
Nd1 Nd 0.33339 0.66661 0.00000 1.00000
Nd2 Nd 0.66661 0.33339 0.00000 1.00000
Te1 Te 0.92857 0.59418 0.78563 1.00000
Te2 Te 0.73716 0.73716 0.21457 1.00000
Te3 Te 0.07143 0.40582 0.21437 1.00000
Te4 Te 0.59418 0.92857 0.78563 1.00000
Te5 Te 0.26284 0.26284 0.78543 1.00000
Te6 Te 0.40582 0.07143 0.21437 1.00000
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