Er5Te5Pd
Alexandria ALEXAlex-ID: agm003673590 · 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
AB5C5_0_spg12
Er3Te4 Er5Te6 ErPd
2022-04-09 15:48:40.776822
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003673590).
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 agm003673590
data_agm003673590
_cell_length_a 6.09924
_cell_length_b 7.48294
_cell_length_c 8.52528
_cell_angle_alpha 107.21801
_cell_angle_beta 90.00000
_cell_angle_gamma 114.05060
_cell_volume 336.13213
_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
Er1 Er 0.84803 0.69605 0.15536 1.00000
Er2 Er 0.84650 0.69299 0.68466 1.00000
Er3 Er 0.50000 0.00000 0.00000 1.00000
Er4 Er 0.15350 0.30701 0.31534 1.00000
Er5 Er 0.15197 0.30395 0.84464 1.00000
Te1 Te 0.68126 0.36251 0.33363 1.00000
Te2 Te 0.66625 0.33250 0.82690 1.00000
Te3 Te 0.00000 0.00000 0.50000 1.00000
Te4 Te 0.33375 0.66750 0.17310 1.00000
Te5 Te 0.31874 0.63749 0.66637 1.00000
Pd1 Pd 0.00000 0.00000 0.00000 1.00000
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