Er10(GaTe)3
Alexandria ALEXAlex-ID: agm005669476 · 空间群: P-62m (#189)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B3C10_0_spg189
Er5(GaTe)2 Er
2023-06-19 14:39:30.213770
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005669476).
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 agm005669476
data_agm005669476
_cell_length_a 6.29408
_cell_length_b 8.71481
_cell_length_c 8.71481
_cell_angle_alpha 120.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 413.97947
_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 0.25818 0.66667 0.33333 1.00000
Er2 Er 0.25818 0.33333 0.66667 1.00000
Er3 Er 0.74182 0.33333 0.66667 1.00000
Er4 Er 0.74182 0.66667 0.33333 1.00000
Er5 Er 0.50000 0.00000 0.76052 1.00000
Er6 Er 0.50000 0.76052 1.00000 1.00000
Er7 Er 0.50000 0.23948 0.23948 1.00000
Er8 Er 0.00000 0.00000 0.24157 1.00000
Er9 Er 0.00000 0.24157 0.00000 1.00000
Er10 Er 0.00000 0.75843 0.75843 1.00000
Ga1 Ga 0.50000 0.00000 0.39108 1.00000
Ga2 Ga 0.50000 0.39108 1.00000 1.00000
Ga3 Ga 0.50000 0.60892 0.60892 1.00000
Te1 Te 0.00000 0.00000 0.60665 1.00000
Te2 Te 0.00000 0.60665 1.00000 1.00000
Te3 Te 0.00000 0.39335 0.39335 1.00000
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