Er4AlSi4Pt
Alexandria ALEXAlex-ID: agm022006992 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4D4_11_spg12
Er3Al3Si2Pt Er5Al3Si4Pt3 Er2Si3Pt ErSi
2025-02-22 02:23:44
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm022006992).
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 agm022006992
data_agm022006992
_cell_length_a 9.96496
_cell_length_b 9.96496
_cell_length_c 9.90410
_cell_angle_alpha 74.75614
_cell_angle_beta 105.24386
_cell_angle_gamma 155.43278
_cell_volume 393.81066
_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 0.72126 0.27874 0.34994 1.00000
Er2 Er 0.27874 0.72126 0.65006 1.00000
Er3 Er 0.62626 0.37374 0.99449 1.00000
Er4 Er 0.37374 0.62626 0.00551 1.00000
Er5 Er 0.62453 0.37547 0.63627 1.00000
Er6 Er 0.37547 0.62453 0.36373 1.00000
Er7 Er 0.46200 0.53800 0.72764 1.00000
Er8 Er 0.53800 0.46200 0.27236 1.00000
Al1 Al 0.00000 0.00000 0.50000 1.00000
Al2 Al 0.00000 0.00000 0.00000 1.00000
Si1 Si 0.93385 0.06615 0.21573 1.00000
Si2 Si 0.06615 0.93385 0.78427 1.00000
Si3 Si 0.87471 0.12529 0.80667 1.00000
Si4 Si 0.12529 0.87471 0.19333 1.00000
Si5 Si 0.86428 0.13572 0.55506 1.00000
Si6 Si 0.13572 0.86428 0.44494 1.00000
Si7 Si 0.19519 0.80481 0.85656 1.00000
Si8 Si 0.80481 0.19519 0.14344 1.00000
Pt1 Pt 0.76077 0.23923 0.86859 1.00000
Pt2 Pt 0.23923 0.76077 0.13141 1.00000
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