SmHo2CdC
Alexandria ALEXAlex-ID: agm040758025 · 空间群: I4/mcm (#140)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD2_4_spg108
Ho2C SmCd
2025-01-14 09:29:55
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040758025).
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 agm040758025
data_agm040758025
_cell_length_a 7.06131
_cell_length_b 7.06131
_cell_length_c 7.06131
_cell_angle_alpha 121.82861
_cell_angle_beta 121.82861
_cell_angle_gamma 86.86091
_cell_volume 241.69099
_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 0.25000 0.25000 0.00000 1.00000
Sm2 Sm 0.75000 0.75000 0.00000 1.00000
Ho1 Ho 0.29628 0.79628 0.09256 1.00000
Ho2 Ho 0.20372 0.29628 0.50000 1.00000
Ho3 Ho 0.70372 0.20372 0.90744 1.00000
Ho4 Ho 0.79628 0.70372 0.50000 1.00000
Cd1 Cd 0.75000 0.25000 0.50000 1.00000
Cd2 Cd 0.25000 0.75000 0.50000 1.00000
C1 C 0.50000 0.50000 0.00000 1.00000
C2 C 0.00000 0.00000 0.00000 1.00000
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