PmB2H7
Alexandria ALEXAlex-ID: agm006197895 · 空间群: C2 (#5)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C7_1072_spg1
PmH3 PmB4 Pm(BH4)3
2023-10-18 00:07:40
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006197895).
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 agm006197895
data_agm006197895
_cell_length_a 9.30165
_cell_length_b 10.31917
_cell_length_c 7.05272
_cell_angle_alpha 43.42181
_cell_angle_beta 25.02226
_cell_angle_gamma 22.60308
_cell_volume 80.88841
_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
H1 H 0.12117 0.15035 0.47188 1.00000
H2 H 0.58137 0.54524 0.02379 1.00000
H3 H 0.46202 0.00713 0.81755 1.00000
H4 H 0.21697 0.72369 0.66702 1.00000
H5 H 0.30235 0.32381 0.98794 1.00000
H6 H 0.29270 0.42684 0.57758 1.00000
H7 H 0.89963 0.65194 0.39974 1.00000
B1 B 0.01930 0.72593 0.56951 1.00000
B2 B 0.65303 0.99344 0.93840 1.00000
Pm1 Pm 0.95145 0.95163 0.04659 1.00000
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