Te(HPd3)2
Alexandria ALEXAlex-ID: agm003500260 · 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
AB2C6_783_spg12
Te3Pd13 Te7Pd20 HPd
2022-02-24 20:57:00.604175
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003500260).
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 agm003500260
data_agm003500260
_cell_length_a 3.69375
_cell_length_b 5.95962
_cell_length_c 6.50634
_cell_angle_alpha 78.61503
_cell_angle_beta 73.50945
_cell_angle_gamma 71.94693
_cell_volume 129.62976
_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
Te1 Te 0.00000 0.50000 0.50000 1.00000
H1 H 0.16181 0.80910 0.86728 1.00000
H2 H 0.83819 0.19090 0.13272 1.00000
Pd1 Pd 0.71507 0.68653 0.88332 1.00000
Pd2 Pd 0.28493 0.31347 0.11668 1.00000
Pd3 Pd 0.99276 0.83767 0.17681 1.00000
Pd4 Pd 0.32090 0.82036 0.53784 1.00000
Pd5 Pd 0.00724 0.16233 0.82319 1.00000
Pd6 Pd 0.67910 0.17964 0.46216 1.00000
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