Er2TlZn3
Alexandria ALEXAlex-ID: agm005667950 · 空间群: Imm2 (#44)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_55_spg44
ErTl3 Er5Tl4Zn ErZn2
2023-08-25 10:59:17.328746
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005667950).
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 agm005667950
data_agm005667950
_cell_length_a 3.94061
_cell_length_b 4.23664
_cell_length_c 8.56542
_cell_angle_alpha 104.31841
_cell_angle_beta 103.29884
_cell_angle_gamma 90.00001
_cell_volume 134.59580
_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 0.13715 0.13715 0.27430 1.00000
Er2 Er 0.85638 0.35638 0.71276 1.00000
Tl1 Tl 0.45665 0.95665 0.91331 1.00000
Zn1 Zn 0.70512 0.70512 0.41024 1.00000
Zn2 Zn 0.55476 0.55476 0.10952 1.00000
Zn3 Zn 0.28993 0.78993 0.57987 1.00000
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