Er3(AlZn)4
Alexandria ALEXAlex-ID: agm005696509 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C4_125_spg71
ErAlZn2 ErAl2
2023-06-29 19:27:25.419520
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005696509).
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 agm005696509
data_agm005696509
_cell_length_a 3.65383
_cell_length_b 4.36622
_cell_length_c 13.70285
_cell_angle_alpha 80.82975
_cell_angle_beta 82.36133
_cell_angle_gamma 90.04295
_cell_volume 213.84457
_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 0.14572 0.64616 0.70888 1.00000
Er2 Er 0.85431 0.35387 0.29112 1.00000
Er3 Er 0.00001 0.00001 0.00000 1.00000
Al1 Al 0.59394 0.09440 0.81192 1.00000
Al2 Al 0.25580 0.25483 0.48883 1.00000
Al3 Al 0.74423 0.74520 0.51117 1.00000
Al4 Al 0.40609 0.90562 0.18808 1.00000
Zn1 Zn 0.54709 0.54742 0.90572 1.00000
Zn2 Zn 0.45294 0.45261 0.09427 1.00000
Zn3 Zn 0.31203 0.81187 0.37501 1.00000
Zn4 Zn 0.68800 0.18816 0.62499 1.00000
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