Ac3TlNiRh
Alexandria ALEXAlex-ID: agm024359656 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD3_1_spg11
Ac3(TlNi)2 Ac3Rh2
2024-12-19 10:20:32
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024359656).
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}
}
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# CIF generated by HEAS from Alexandria entry agm024359656
data_agm024359656
_cell_length_a 8.74560
_cell_length_b 4.30110
_cell_length_c 11.22110
_cell_angle_alpha 90.00000
_cell_angle_beta 110.62065
_cell_angle_gamma 90.00000
_cell_volume 395.04774
_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 0.80823 0.25000 0.05635 1.00000
Ac2 Ac 0.58901 0.75000 0.26051 1.00000
Ac3 Ac 0.10132 0.75000 0.39176 1.00000
Ac4 Ac 0.19177 0.75000 0.94365 1.00000
Ac5 Ac 0.89868 0.25000 0.60824 1.00000
Ac6 Ac 0.41099 0.25000 0.73949 1.00000
Tl1 Tl 0.74472 0.75000 0.79328 1.00000
Tl2 Tl 0.25528 0.25000 0.20672 1.00000
Ni1 Ni 0.45394 0.25000 0.03872 1.00000
Ni2 Ni 0.54606 0.75000 0.96128 1.00000
Rh1 Rh 0.84158 0.25000 0.32926 1.00000
Rh2 Rh 0.15842 0.75000 0.67074 1.00000
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