Er6MgCo2
Alexandria ALEXAlex-ID: agm005705518 · 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
AB2C6_1783_spg71
Er4Mg3Co2 Er5Co2 Er4MgCo
2023-07-12 21:19:30.957684
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005705518).
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 agm005705518
data_agm005705518
_cell_length_a 8.30553
_cell_length_b 8.30553
_cell_length_c 8.30553
_cell_angle_alpha 106.35825
_cell_angle_beta 112.40119
_cell_angle_gamma 109.71052
_cell_volume 439.81531
_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 0.53155 0.81649 0.71506 1.00000
Er2 Er 0.46845 0.18351 0.28494 1.00000
Er3 Er 0.10143 0.81649 0.28494 1.00000
Er4 Er 0.89857 0.18351 0.71506 1.00000
Er5 Er 0.79538 0.03169 0.23631 1.00000
Er6 Er 0.20462 0.96831 0.76369 1.00000
Er7 Er 0.20462 0.44093 0.23631 1.00000
Er8 Er 0.79538 0.55907 0.76369 1.00000
Er9 Er 0.68662 0.32058 0.00720 1.00000
Er10 Er 0.31338 0.67942 0.99280 1.00000
Er11 Er 0.31338 0.32058 0.63396 1.00000
Er12 Er 0.68662 0.67942 0.36604 1.00000
Mg1 Mg 0.00000 0.50000 0.50000 1.00000
Mg2 Mg 0.00000 0.00000 0.00000 1.00000
Co1 Co 0.50000 0.11420 0.61420 1.00000
Co2 Co 0.50000 0.88580 0.38580 1.00000
Co3 Co 0.67016 0.67016 0.00000 1.00000
Co4 Co 0.32984 0.32984 1.00000 1.00000
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