Li5Mg2Mn(RhO5)2
Alexandria ALEXAlex-ID: agm010769296 · 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
AB2C2D5E10_2_spg1
Li3Mg(RhO3)2 Li2MnO3 MgO
2024-05-04 11:51:19.617600
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010769296).
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 agm010769296
data_agm010769296
_cell_length_a 5.14694
_cell_length_b 5.95918
_cell_length_c 6.69945
_cell_angle_alpha 102.51214
_cell_angle_beta 97.53497
_cell_angle_gamma 106.68657
_cell_volume 188.00302
_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
Li1 Li 0.20979 0.89423 0.39310 1.00000
Li2 Li 0.99428 0.49262 0.98549 1.00000
Li3 Li 0.79957 0.10321 0.60325 1.00000
Li4 Li 0.61240 0.70785 0.21489 1.00000
Li5 Li 0.38570 0.30383 0.80196 1.00000
Mg1 Mg 0.20104 0.40164 0.40147 1.00000
Mg2 Mg 0.39916 0.79905 0.79756 1.00000
Mn1 Mn 0.99965 0.99917 0.00018 1.00000
Rh1 Rh 0.59886 0.19642 0.19781 1.00000
Rh2 Rh 0.80097 0.60327 0.60298 1.00000
O1 O 0.51238 0.26335 0.49301 1.00000
O2 O 0.28549 0.86364 0.09100 1.00000
O3 O 0.09825 0.45953 0.69380 1.00000
O4 O 0.90629 0.05136 0.27686 1.00000
O5 O 0.71832 0.67283 0.90089 1.00000
O6 O 0.88741 0.53743 0.31110 1.00000
O7 O 0.71414 0.13692 0.91243 1.00000
O8 O 0.50241 0.74389 0.50523 1.00000
O9 O 0.28337 0.32203 0.09698 1.00000
O10 O 0.09052 0.94772 0.72000 1.00000
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