LaTm(H3Rh)2
Alexandria ALEXAlex-ID: agm007803785 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_560_spg15
LaH3Rh TmH3Rh
2024-03-05 18:24:17.832951
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007803785).
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
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# CIF generated by HEAS from Alexandria entry agm007803785
data_agm007803785
_cell_length_a 6.08527
_cell_length_b 6.08527
_cell_length_c 6.39904
_cell_angle_alpha 76.90751
_cell_angle_beta 76.90751
_cell_angle_gamma 101.38744
_cell_volume 216.93475
_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
La1 La 0.34725 0.65275 0.75000 1.00000
La2 La 0.65275 0.34725 0.25000 1.00000
Tm1 Tm 0.90300 0.09700 0.75000 1.00000
Tm2 Tm 0.09700 0.90300 0.25000 1.00000
H1 H 0.17693 0.96198 0.88142 1.00000
H2 H 0.03802 0.82307 0.61858 1.00000
H3 H 0.82307 0.03802 0.11858 1.00000
H4 H 0.96198 0.17693 0.38142 1.00000
H5 H 0.32440 0.28259 0.03418 1.00000
H6 H 0.71741 0.67560 0.46582 1.00000
H7 H 0.67560 0.71741 0.96582 1.00000
H8 H 0.28259 0.32440 0.53418 1.00000
H9 H 0.58496 0.06803 0.61932 1.00000
H10 H 0.93197 0.41504 0.88068 1.00000
H11 H 0.41504 0.93197 0.38068 1.00000
H12 H 0.06803 0.58496 0.11932 1.00000
Rh1 Rh 0.17447 0.43423 0.31804 1.00000
Rh2 Rh 0.56577 0.82553 0.18196 1.00000
Rh3 Rh 0.82553 0.56577 0.68196 1.00000
Rh4 Rh 0.43423 0.17447 0.81804 1.00000
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