Nd2ErSb3
Alexandria ALEXAlex-ID: agm005656228 · 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
AB2C3_5_spg15
ErSb NdSb
2023-08-24 17:22:36.627471
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005656228).
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 agm005656228
data_agm005656228
_cell_length_a 7.74333
_cell_length_b 7.74334
_cell_length_c 7.73616
_cell_angle_alpha 99.61040
_cell_angle_beta 99.61038
_cell_angle_gamma 120.00659
_cell_volume 378.62562
_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
Nd1 Nd 0.83334 0.16666 0.50000 1.00000
Nd2 Nd 0.33333 0.66666 0.00000 1.00000
Nd3 Nd 0.16900 0.83100 0.50000 1.00000
Nd4 Nd 0.49768 0.50232 0.50000 1.00000
Er1 Er 0.00082 0.99918 1.00000 1.00000
Er2 Er 0.66584 0.33415 0.00000 1.00000
Sb1 Sb 0.59280 0.92614 0.75919 1.00000
Sb2 Sb 0.07386 0.40719 0.24081 1.00000
Sb3 Sb 0.91277 0.58537 0.75669 1.00000
Sb4 Sb 0.25204 0.24610 0.75669 1.00000
Sb5 Sb 0.41463 0.08723 0.24331 1.00000
Sb6 Sb 0.75390 0.74796 0.24331 1.00000
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