Nd6Sc5
Alexandria ALEXAlex-ID: agm011978481 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A5B6_640_spg2
Sc Nd
2024-07-13 12:31:30.173504
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011978481).
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 agm011978481
data_agm011978481
_cell_length_a 6.02934
_cell_length_b 6.03599
_cell_length_c 9.22381
_cell_angle_alpha 96.41310
_cell_angle_beta 90.68179
_cell_angle_gamma 99.01776
_cell_volume 329.31111
_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 0.77564 0.64579 0.04909 1.00000
Nd2 Nd 0.22436 0.35421 0.95091 1.00000
Nd3 Nd 0.40491 0.46389 0.32420 1.00000
Nd4 Nd 0.59509 0.53611 0.67580 1.00000
Nd5 Nd 0.85798 0.17866 0.23445 1.00000
Nd6 Nd 0.14202 0.82134 0.76555 1.00000
Sc1 Sc 0.68310 0.08921 0.85795 1.00000
Sc2 Sc 0.31690 0.91079 0.14205 1.00000
Sc3 Sc 0.50000 0.00000 0.50000 1.00000
Sc4 Sc 0.96111 0.73621 0.41116 1.00000
Sc5 Sc 0.03889 0.26379 0.58884 1.00000
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