Nd12Ho7Sc
Alexandria ALEXAlex-ID: agm005778577 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB7C12_35_spg166
Nd NdHo2 Sc
2023-07-16 09:34:42.155213
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005778577).
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 agm005778577
data_agm005778577
_cell_length_a 6.20187
_cell_length_b 11.50160
_cell_length_c 11.50160
_cell_angle_alpha 116.84257
_cell_angle_beta 100.35458
_cell_angle_gamma 100.35458
_cell_volume 687.55635
_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 0.08729 0.58727 0.17462 1.00000
Nd2 Nd 0.08733 0.17462 0.58735 1.00000
Nd3 Nd 0.57995 0.64800 0.00005 1.00000
Nd4 Nd 0.42009 0.00005 0.35205 1.00000
Nd5 Nd 0.49998 0.41265 0.58727 1.00000
Nd6 Nd 0.06805 0.64795 0.64800 1.00000
Nd7 Nd 0.93195 0.35205 0.35200 1.00000
Nd8 Nd 0.50002 0.58735 0.41273 1.00000
Nd9 Nd 0.57991 0.99995 0.64795 1.00000
Nd10 Nd 0.42005 0.35200 0.99995 1.00000
Nd11 Nd 0.91267 0.82538 0.41265 1.00000
Nd12 Nd 0.91271 0.41273 0.82538 1.00000
Ho1 Ho 0.11928 0.75959 0.00005 1.00000
Ho2 Ho 0.88077 0.00005 0.24046 1.00000
Ho3 Ho 0.64030 0.75954 0.75959 1.00000
Ho4 Ho 0.50000 0.00000 0.00000 1.00000
Ho5 Ho 0.35970 0.24046 0.24041 1.00000
Ho6 Ho 0.11923 0.99995 0.75954 1.00000
Ho7 Ho 0.88072 0.24041 0.99995 1.00000
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
