Nd2ScTl
Alexandria ALEXAlex-ID: agm003636483 · 空间群: Imma (#74)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_1259_spg140
NdScTl Nd
2022-04-15 01:03:51.417472
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003636483).
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 agm003636483
data_agm003636483
_cell_length_a 6.74663
_cell_length_b 6.78872
_cell_length_c 6.78872
_cell_angle_alpha 72.05799
_cell_angle_beta 60.20490
_cell_angle_gamma 60.20490
_cell_volume 233.38521
_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 0.20368 0.29632 0.79632 1.00000
Nd2 Nd 0.29632 0.70368 0.20368 1.00000
Nd3 Nd 0.79632 0.70368 0.20368 1.00000
Nd4 Nd 0.70368 0.29632 0.79632 1.00000
Sc1 Sc 0.75000 0.18427 0.31573 1.00000
Sc2 Sc 0.25000 0.81573 0.68427 1.00000
Tl1 Tl 0.25000 0.19387 0.30613 1.00000
Tl2 Tl 0.75000 0.80613 0.69387 1.00000
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