Pm4GaIrCl2
Alexandria ALEXAlex-ID: agm004861817 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_343_spg10
Pm3GaCl3 Pm5Ir2 Pm3IrCl3 PmGa
2022-07-13 13:06:17.391579
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004861817).
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 agm004861817
data_agm004861817
_cell_length_a 4.02223
_cell_length_b 7.73204
_cell_length_c 7.53871
_cell_angle_alpha 70.35731
_cell_angle_beta 89.99971
_cell_angle_gamma 89.99967
_cell_volume 220.81097
_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
Pm1 Pm 0.00000 0.71097 0.76050 1.00000
Pm2 Pm 1.00000 0.28904 0.23950 1.00000
Pm3 Pm 0.50000 0.72096 0.22715 1.00000
Pm4 Pm 0.50000 0.27904 0.77285 1.00000
Ga1 Ga 0.00000 0.49999 0.50000 1.00000
Ir1 Ir 0.50000 0.50000 1.00000 1.00000
Cl1 Cl 0.00000 0.00000 1.00000 1.00000
Cl2 Cl 0.50000 0.00000 0.50000 1.00000
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