Ac3(GeIr)4
Alexandria ALEXAlex-ID: agm003380321 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C4_0_spg71
AcGeIr Ac(GeIr)2
2022-02-09 02:57:43.770702
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003380321).
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 agm003380321
data_agm003380321
_cell_length_a 4.40864
_cell_length_b 4.49811
_cell_length_c 12.88112
_cell_angle_alpha 100.05544
_cell_angle_beta 99.85341
_cell_angle_gamma 90.00000
_cell_volume 247.68845
_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 0.35252 0.85252 0.70503 1.00000
Ac2 Ac 0.64748 0.14748 0.29497 1.00000
Ac3 Ac 0.00000 0.00000 0.00000 1.00000
Ge1 Ge 0.24937 0.24937 0.49875 1.00000
Ge2 Ge 0.10044 0.60045 0.20089 1.00000
Ge3 Ge 0.89956 0.39955 0.79911 1.00000
Ge4 Ge 0.75063 0.75063 0.50125 1.00000
Ir1 Ir 0.79984 0.29984 0.59969 1.00000
Ir2 Ir 0.44756 0.44756 0.89513 1.00000
Ir3 Ir 0.55244 0.55244 0.10487 1.00000
Ir4 Ir 0.20016 0.70016 0.40031 1.00000
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