Er6Cd3Ir2Os
Alexandria ALEXAlex-ID: agm048647897 · 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
AB2C3D6_407_spg2
Er6Cd5Os Er5Ir3 ErCd2 ErOs2
2025-02-24 01:47:29
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm048647897).
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 agm048647897
data_agm048647897
_cell_length_a 7.63390
_cell_length_b 7.63390
_cell_length_c 9.14405
_cell_angle_alpha 59.96321
_cell_angle_beta 120.03679
_cell_angle_gamma 143.12674
_cell_volume 271.62194
_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
Er1 Er 0.90564 0.09436 0.21481 1.00000
Er2 Er 0.76220 0.23780 0.78447 1.00000
Er3 Er 0.09436 0.90564 0.78519 1.00000
Er4 Er 0.57183 0.42817 0.21450 1.00000
Er5 Er 0.23780 0.76220 0.21553 1.00000
Er6 Er 0.42817 0.57183 0.78550 1.00000
Cd1 Cd 0.16626 0.83374 0.49916 1.00000
Cd2 Cd 0.83374 0.16626 0.50084 1.00000
Cd3 Cd 0.50000 0.50000 0.50000 1.00000
Ir1 Ir 0.33340 0.66660 0.00057 1.00000
Ir2 Ir 0.66660 0.33340 0.99943 1.00000
Os1 Os 0.00000 0.00000 0.00000 1.00000
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