Ce5TmIr6
Alexandria ALEXAlex-ID: agm003677530 · 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
AB5C6_8_spg12
TmIr CeIr
2022-04-09 20:03:04.861517
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003677530).
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 agm003677530
data_agm003677530
_cell_length_a 6.95865
_cell_length_b 6.95488
_cell_length_c 6.96866
_cell_angle_alpha 60.06541
_cell_angle_beta 80.40685
_cell_angle_gamma 70.49056
_cell_volume 275.48773
_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
Ce1 Ce 0.50000 0.16879 0.66242 1.00000
Ce2 Ce 1.00000 0.33477 0.33046 1.00000
Ce3 Ce 0.50000 0.50000 0.00000 1.00000
Ce4 Ce 0.00000 0.66523 0.66954 1.00000
Ce5 Ce 0.50000 0.83121 0.33758 1.00000
Tm1 Tm 0.00000 0.00000 0.00000 1.00000
Ir1 Ir 0.75126 0.08214 0.33446 1.00000
Ir2 Ir 0.24874 0.58341 0.33446 1.00000
Ir3 Ir 0.25267 0.24935 0.00000 1.00000
Ir4 Ir 0.74733 0.75065 1.00000 1.00000
Ir5 Ir 0.75126 0.41659 0.66554 1.00000
Ir6 Ir 0.24874 0.91786 0.66554 1.00000
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