TmMgB14
Alexandria ALEXAlex-ID: agm005754680 · 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
TmB12 MgB7 TmB4
2023-07-18 13:57:13.578393
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754680).
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 agm005754680
data_agm005754680
_cell_length_a 5.93169
_cell_length_b 7.33353
_cell_length_c 7.33353
_cell_angle_alpha 68.13409
_cell_angle_beta 66.14504
_cell_angle_gamma 66.14504
_cell_volume 258.37938
_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
Tm1 Tm 0.25000 0.39240 0.10760 1.00000
Tm2 Tm 0.75000 0.60760 0.89240 1.00000
Mg1 Mg 0.50000 0.00000 0.50000 1.00000
Mg2 Mg 0.00000 0.00000 0.50000 1.00000
B1 B 0.66687 0.36378 0.30248 1.00000
B2 B 0.33313 0.63622 0.69752 1.00000
B3 B 0.16687 0.80248 0.86378 1.00000
B4 B 0.83313 0.19752 0.13622 1.00000
B5 B 0.13704 0.24029 0.48562 1.00000
B6 B 0.86296 0.75971 0.51438 1.00000
B7 B 0.63704 0.98562 0.74029 1.00000
B8 B 0.36296 0.01438 0.25971 1.00000
B9 B 0.08432 0.08690 0.74446 1.00000
B10 B 0.91568 0.91310 0.25554 1.00000
B11 B 0.58432 0.24446 0.58690 1.00000
B12 B 0.41568 0.75554 0.41310 1.00000
B13 B 0.72116 0.60006 0.27658 1.00000
B14 B 0.59780 0.39994 0.72342 1.00000
B15 B 0.22116 0.77658 0.10006 1.00000
B16 B 0.09780 0.22342 0.89994 1.00000
B17 B 0.27884 0.39994 0.72342 1.00000
B18 B 0.40220 0.60006 0.27658 1.00000
B19 B 0.77884 0.22342 0.89994 1.00000
B20 B 0.90220 0.77658 0.10006 1.00000
B21 B 0.32510 0.96866 0.87650 1.00000
B22 B 0.17027 0.03134 0.12350 1.00000
B23 B 0.82510 0.37650 0.46866 1.00000
B24 B 0.67027 0.62350 0.53134 1.00000
B25 B 0.67490 0.03134 0.12350 1.00000
B26 B 0.82973 0.96866 0.87650 1.00000
B27 B 0.17490 0.62350 0.53134 1.00000
B28 B 0.32973 0.37650 0.46866 1.00000
