MgNbRh4
Alexandria ALEXAlex-ID: agm003752091 · 空间群: Amm2 (#38)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_1428_spg38
Mg5NbRh6 MgRh7 NbRh3
2022-04-18 17:50:36.985268
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003752091).
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 agm003752091
data_agm003752091
_cell_length_a 2.87740
_cell_length_b 4.46969
_cell_length_c 7.25501
_cell_angle_alpha 90.00331
_cell_angle_beta 78.63227
_cell_angle_gamma 89.99935
_cell_volume 91.47665
_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 0.35703 0.49716 0.03585 1.00000
Nb1 Nb 0.14322 0.99743 0.46471 1.00000
Rh1 Rh 0.81054 0.99722 0.12917 1.00000
Rh2 Rh 0.48204 0.99728 0.78744 1.00000
Rh3 Rh 0.02437 0.49733 0.70193 1.00000
Rh4 Rh 0.69059 0.49731 0.36972 1.00000
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