Ac4In2P
Alexandria ALEXAlex-ID: agm005996912 · 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
AB2C4_1034_spg12
Ac5In3 AcIn AcP
2023-10-14 15:07:31
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005996912).
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 agm005996912
data_agm005996912
_cell_length_a 4.77783
_cell_length_b 7.06220
_cell_length_c 8.50438
_cell_angle_alpha 74.36879
_cell_angle_beta 73.68584
_cell_angle_gamma 70.22862
_cell_volume 254.28693
_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 0.08489 0.19475 0.63546 1.00000
Ac2 Ac 0.91511 0.80525 0.36454 1.00000
Ac3 Ac 0.33183 0.25711 0.07924 1.00000
Ac4 Ac 0.66817 0.74289 0.92076 1.00000
In1 In 0.37531 0.58781 0.66156 1.00000
In2 In 0.62469 0.41219 0.33844 1.00000
P1 P 0.00000 0.00000 0.00000 1.00000
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