NdTcB14
Alexandria ALEXAlex-ID: agm005755121 · 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 TcB2 B
2023-07-18 14:06:06.846301
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755121).
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 agm005755121
data_agm005755121
_cell_length_a 5.89269
_cell_length_b 7.45551
_cell_length_c 7.45551
_cell_angle_alpha 67.63808
_cell_angle_beta 66.72216
_cell_angle_gamma 66.72216
_cell_volume 266.44686
_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 0.37605 0.12395 1.00000
Nd2 Nd 0.75000 0.62395 0.87605 1.00000
Tc1 Tc 0.50000 0.00000 0.50000 1.00000
Tc2 Tc 0.00000 0.00000 0.50000 1.00000
B1 B 0.66636 0.36850 0.29878 1.00000
B2 B 0.33364 0.63150 0.70122 1.00000
B3 B 0.16636 0.79878 0.86850 1.00000
B4 B 0.83364 0.20122 0.13150 1.00000
B5 B 0.12081 0.24606 0.51233 1.00000
B6 B 0.87919 0.75394 0.48767 1.00000
B7 B 0.62081 0.01233 0.74606 1.00000
B8 B 0.37919 0.98767 0.25394 1.00000
B9 B 0.08307 0.08500 0.74886 1.00000
B10 B 0.91693 0.91500 0.25114 1.00000
B11 B 0.58307 0.24886 0.58500 1.00000
B12 B 0.41693 0.75114 0.41500 1.00000
B13 B 0.72321 0.59890 0.27822 1.00000
B14 B 0.60034 0.40110 0.72178 1.00000
B15 B 0.22321 0.77822 0.09890 1.00000
B16 B 0.10034 0.22178 0.90110 1.00000
B17 B 0.27679 0.40110 0.72178 1.00000
B18 B 0.39966 0.59890 0.27822 1.00000
B19 B 0.77679 0.22178 0.90110 1.00000
B20 B 0.89966 0.77822 0.09890 1.00000
B21 B 0.32375 0.97198 0.87321 1.00000
B22 B 0.16895 0.02802 0.12679 1.00000
B23 B 0.82375 0.37321 0.47198 1.00000
B24 B 0.66895 0.62679 0.52802 1.00000
B25 B 0.67625 0.02802 0.12679 1.00000
B26 B 0.83105 0.97198 0.87321 1.00000
B27 B 0.17625 0.62679 0.52802 1.00000
B28 B 0.33105 0.37321 0.47198 1.00000
