NaTm(H3Pd)2
Alexandria ALEXAlex-ID: agm007462284 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_420_spg15
Tm3H2Pd9 Tm(HPd)4 NaH3Pd TmH3
2024-02-09 00:44:16
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007462284).
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 agm007462284
data_agm007462284
_cell_length_a 6.07538
_cell_length_b 6.07538
_cell_length_c 5.76446
_cell_angle_alpha 80.35324
_cell_angle_beta 80.35324
_cell_angle_gamma 101.64628
_cell_volume 200.92207
_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
Na1 Na 0.57588 0.42412 0.75000 1.00000
Na2 Na 0.42412 0.57588 0.25000 1.00000
Tm1 Tm 0.16319 0.83681 0.75000 1.00000
Tm2 Tm 0.83681 0.16319 0.25000 1.00000
H1 H 0.56599 0.09258 0.61184 1.00000
H2 H 0.90742 0.43401 0.88816 1.00000
H3 H 0.43401 0.90742 0.38816 1.00000
H4 H 0.09258 0.56599 0.11184 1.00000
H5 H 0.83308 0.81968 0.52177 1.00000
H6 H 0.18032 0.16692 0.97823 1.00000
H7 H 0.16692 0.18032 0.47823 1.00000
H8 H 0.81968 0.83308 0.02177 1.00000
H9 H 0.45726 0.72392 0.86651 1.00000
H10 H 0.27608 0.54274 0.63349 1.00000
H11 H 0.54274 0.27608 0.13349 1.00000
H12 H 0.72392 0.45726 0.36651 1.00000
Pd1 Pd 0.94691 0.68961 0.30535 1.00000
Pd2 Pd 0.31039 0.05309 0.19465 1.00000
Pd3 Pd 0.05309 0.31039 0.69465 1.00000
Pd4 Pd 0.68961 0.94691 0.80535 1.00000
获取直接链接