Er4Mg3In2
Alexandria ALEXAlex-ID: agm005640157 · 空间群: P-3m1 (#164)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_138_spg12
Er4Mg3In ErMgIn Er2MgIn
2023-06-27 10:36:21.256777
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005640157).
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 agm005640157
data_agm005640157
_cell_length_a 5.22400
_cell_length_b 5.22671
_cell_length_c 9.99291
_cell_angle_alpha 89.95818
_cell_angle_beta 90.00150
_cell_angle_gamma 60.01220
_cell_volume 236.32373
_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 0.66678 0.66648 0.87561 1.00000
Er2 Er 0.99987 0.00022 0.32663 1.00000
Er3 Er 0.00013 0.99978 0.67337 1.00000
Er4 Er 0.33322 0.33352 0.12439 1.00000
Mg1 Mg 0.33336 0.33321 0.48839 1.00000
Mg2 Mg 0.00000 0.00000 0.00000 1.00000
Mg3 Mg 0.66664 0.66679 0.51161 1.00000
In1 In 0.33351 0.33304 0.80191 1.00000
In2 In 0.66649 0.66696 0.19809 1.00000
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