SmH8Ir2Pt
Alexandria ALEXAlex-ID: agm004875551 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_736_spg12
H3Pt SmH6Ir Pt Ir
2023-01-01 22:27:29.099030
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004875551).
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 agm004875551
data_agm004875551
_cell_length_a 4.07494
_cell_length_b 5.03177
_cell_length_c 6.53090
_cell_angle_alpha 61.84274
_cell_angle_beta 71.82176
_cell_angle_gamma 66.11382
_cell_volume 106.73046
_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
Sm1 Sm 0.50000 0.50000 0.50000 1.00000
H1 H 0.85133 0.74964 0.54770 1.00000
H2 H 0.70306 0.45391 0.13997 1.00000
H3 H 0.14867 0.25036 0.45230 1.00000
H4 H 0.29694 0.54609 0.86003 1.00000
H5 H 0.62776 0.01368 0.24070 1.00000
H6 H 0.37224 0.98632 0.75930 1.00000
H7 H 0.11785 0.01368 0.24070 1.00000
H8 H 0.88215 0.98632 0.75930 1.00000
Ir1 Ir 0.25202 0.32639 0.16956 1.00000
Ir2 Ir 0.74798 0.67361 0.83044 1.00000
Pt1 Pt 0.00000 0.00000 0.00000 1.00000
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