Mn2GeH8Rh
Alexandria ALEXAlex-ID: agm007474162 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_811_spg2
MnH2 Mn3(GeRh2)4 GeH8 H2
2024-03-05 22:34:30.287785
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007474162).
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}
}
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# CIF generated by HEAS from Alexandria entry agm007474162
data_agm007474162
_cell_length_a 5.01990
_cell_length_b 4.57802
_cell_length_c 4.93263
_cell_angle_alpha 65.72808
_cell_angle_beta 57.26434
_cell_angle_gamma 64.94668
_cell_volume 83.88032
_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
Mn1 Mn 0.46827 0.84497 0.32819 1.00000
Mn2 Mn 0.53173 0.15503 0.67181 1.00000
Ge1 Ge 0.00000 0.00000 0.00000 1.00000
H1 H 0.31310 0.19875 0.07338 1.00000
H2 H 0.57014 0.77823 0.64507 1.00000
H3 H 0.68690 0.80125 0.92662 1.00000
H4 H 0.42986 0.22177 0.35493 1.00000
H5 H 0.31311 0.68738 0.20052 1.00000
H6 H 0.68689 0.31262 0.79948 1.00000
H7 H 0.24164 0.56165 0.66986 1.00000
H8 H 0.75836 0.43835 0.33014 1.00000
Rh1 Rh 0.00000 0.50000 0.50000 1.00000
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