NdB14Mo
Alexandria ALEXAlex-ID: agm005754366 · 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
ABC14_1_spg74
NdB6 B2Mo B
2023-07-18 14:03:50.089416
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754366).
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 agm005754366
data_agm005754366
_cell_length_a 5.88386
_cell_length_b 7.48602
_cell_length_c 7.48602
_cell_angle_alpha 67.02127
_cell_angle_beta 66.85936
_cell_angle_gamma 66.85936
_cell_volume 267.73525
_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 0.25000 0.37595 0.12405 1.00000
Nd2 Nd 0.75000 0.62405 0.87595 1.00000
B1 B 0.66720 0.36315 0.30244 1.00000
B2 B 0.33280 0.63685 0.69756 1.00000
B3 B 0.16720 0.80244 0.86315 1.00000
B4 B 0.83280 0.19756 0.13685 1.00000
B5 B 0.11808 0.25133 0.51251 1.00000
B6 B 0.88192 0.74867 0.48749 1.00000
B7 B 0.61808 0.01251 0.75133 1.00000
B8 B 0.38192 0.98749 0.24867 1.00000
B9 B 0.08076 0.08879 0.74969 1.00000
B10 B 0.91924 0.91121 0.25031 1.00000
B11 B 0.58076 0.24969 0.58879 1.00000
B12 B 0.41924 0.75031 0.41121 1.00000
B13 B 0.72332 0.59803 0.27622 1.00000
B14 B 0.59757 0.40197 0.72378 1.00000
B15 B 0.22332 0.77622 0.09803 1.00000
B16 B 0.09757 0.22378 0.90197 1.00000
B17 B 0.27668 0.40197 0.72378 1.00000
B18 B 0.40243 0.59803 0.27622 1.00000
B19 B 0.77668 0.22378 0.90197 1.00000
B20 B 0.90243 0.77622 0.09803 1.00000
B21 B 0.32299 0.97265 0.87425 1.00000
B22 B 0.16989 0.02735 0.12575 1.00000
B23 B 0.82299 0.37425 0.47265 1.00000
B24 B 0.66989 0.62575 0.52735 1.00000
B25 B 0.67701 0.02735 0.12575 1.00000
B26 B 0.83011 0.97265 0.87425 1.00000
B27 B 0.17701 0.62575 0.52735 1.00000
B28 B 0.33011 0.37425 0.47265 1.00000
Mo1 Mo 0.50000 0.00000 0.50000 1.00000
Mo2 Mo 0.00000 0.00000 0.50000 1.00000
