Er2ScBi3
Alexandria ALEXAlex-ID: agm034133071 · 空间群: Fddd (#70)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_36_spg70
ScBi ErBi
2025-04-15 09:18:31
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034133071).
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}
}晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm034133071
data_agm034133071
_cell_length_a 14.56210
_cell_length_b 13.88786
_cell_length_c 7.59517
_cell_angle_alpha 79.48343
_cell_angle_beta 69.66539
_cell_angle_gamma 30.85118
_cell_volume 716.85492
_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 0.99857 0.99857 0.50143 1.00000
Er2 Er 0.41782 0.41782 0.58218 1.00000
Er3 Er 0.83218 0.83218 0.66782 1.00000
Er4 Er 0.25143 0.25143 0.74857 1.00000
Er5 Er 0.74857 0.74857 0.25143 1.00000
Er6 Er 0.66782 0.66782 0.83218 1.00000
Er7 Er 0.58218 0.58218 0.41782 1.00000
Er8 Er 0.50143 0.50143 0.99857 1.00000
Sc1 Sc 0.91653 0.91653 0.08347 1.00000
Sc2 Sc 0.33347 0.33347 0.16653 1.00000
Sc3 Sc 0.16653 0.16653 0.33347 1.00000
Sc4 Sc 0.08347 0.08347 0.91653 1.00000
Bi1 Bi 0.66412 0.16583 0.84413 1.00000
Bi2 Bi 0.16583 0.66412 0.32593 1.00000
Bi3 Bi 0.58588 0.08417 0.40587 1.00000
Bi4 Bi 0.08417 0.58588 0.92407 1.00000
Bi5 Bi 0.49036 0.00964 0.00964 1.00000
Bi6 Bi 0.00964 0.49036 0.49036 1.00000
Bi7 Bi 0.92407 0.40587 0.08417 1.00000
Bi8 Bi 0.40587 0.92407 0.58588 1.00000
Bi9 Bi 0.32593 0.84413 0.16583 1.00000
Bi10 Bi 0.84413 0.32593 0.66412 1.00000
Bi11 Bi 0.75964 0.24036 0.24036 1.00000
Bi12 Bi 0.24036 0.75964 0.75964 1.00000
