PmSmHo2Tm
Alexandria ALEXAlex-ID: agm004998043 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD2_1542_spg63
Pm2Ho7 PmHo8 HoTm5 Pm2Sm3Tm
2022-07-05 00:24:55.212154
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004998043).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm004998043
data_agm004998043
_cell_length_a 6.37903
_cell_length_b 6.38436
_cell_length_c 8.90779
_cell_angle_alpha 110.99941
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 338.68445
_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
Pm1 Pm 0.25000 0.84224 0.68447 1.00000
Pm2 Pm 0.75000 0.15776 0.31553 1.00000
Sm1 Sm 0.25000 0.65737 0.31475 1.00000
Sm2 Sm 0.75000 0.34263 0.68525 1.00000
Ho1 Ho 0.50000 0.25028 0.00000 1.00000
Ho2 Ho 0.00000 0.74972 1.00000 1.00000
Ho3 Ho 0.50000 0.74972 1.00000 1.00000
Ho4 Ho 0.00000 0.25028 0.00000 1.00000
Tm1 Tm 0.75000 0.74854 0.49709 1.00000
Tm2 Tm 0.25000 0.25146 0.50291 1.00000
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