MgSn(H4Rh)2
Alexandria ALEXAlex-ID: agm007604241 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_2006_spg8
Mg2H7Rh Sn2(H2Rh)3 H2
2024-03-16 04:13:03.211318
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007604241).
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 agm007604241
data_agm007604241
_cell_length_a 5.52110
_cell_length_b 4.95752
_cell_length_c 5.34106
_cell_angle_alpha 84.25424
_cell_angle_beta 85.06177
_cell_angle_gamma 50.22306
_cell_volume 111.74224
_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
Mg1 Mg 0.08815 0.56312 0.62496 1.00000
Sn1 Sn 0.76233 0.44445 0.30309 1.00000
H1 H 0.20984 0.81643 0.41380 1.00000
H2 H 0.82408 0.85473 0.19181 1.00000
H3 H 0.53540 0.08120 0.61071 1.00000
H4 H 0.34988 0.32719 0.19175 1.00000
H5 H 0.41497 0.47794 0.86494 1.00000
H6 H 0.73001 0.63152 0.85626 1.00000
H7 H 0.22522 0.07400 0.93910 1.00000
H8 H 0.90965 0.99000 0.85983 1.00000
Rh1 Rh 0.18993 0.76213 0.11491 1.00000
Rh2 Rh 0.57099 0.02327 0.92517 1.00000
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