Ac2Ni2Pd
Alexandria ALEXAlex-ID: agm003403296 · 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
AB2C2_43_spg12
AcNi2 AcPd
2022-02-11 07:40:06.973503
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003403296).
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 agm003403296
data_agm003403296
_cell_length_a 4.30509
_cell_length_b 5.98240
_cell_length_c 10.29373
_cell_angle_alpha 82.50566
_cell_angle_beta 77.92966
_cell_angle_gamma 68.91126
_cell_volume 241.44507
_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
Ac1 Ac 0.69590 0.24685 0.36135 1.00000
Ac2 Ac 0.90559 0.29244 0.89637 1.00000
Ac3 Ac 0.30410 0.75315 0.63865 1.00000
Ac4 Ac 0.09441 0.70756 0.10363 1.00000
Ni1 Ni 0.03516 0.34638 0.58330 1.00000
Ni2 Ni 0.61536 0.86734 0.90193 1.00000
Ni3 Ni 0.96484 0.65362 0.41670 1.00000
Ni4 Ni 0.38464 0.13266 0.09807 1.00000
Pd1 Pd 0.57796 0.15939 0.68468 1.00000
Pd2 Pd 0.42204 0.84061 0.31532 1.00000
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