Pm(PrCd3)2
Alexandria ALEXAlex-ID: agm003504091 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_636_spg71
PmPrCd4 PrCd2
2022-02-23 18:10:29.869235
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003504091).
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 agm003504091
data_agm003504091
_cell_length_a 3.43938
_cell_length_b 9.15764
_cell_length_c 9.15764
_cell_angle_alpha 58.00700
_cell_angle_beta 79.17631
_cell_angle_gamma 79.17631
_cell_volume 238.92003
_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 0.50000 0.50000 0.50000 1.00000
Pr1 Pr 0.34828 0.15172 0.15172 1.00000
Pr2 Pr 0.65172 0.84828 0.84828 1.00000
Cd1 Cd 0.16625 0.50341 0.16410 1.00000
Cd2 Cd 0.83375 0.49659 0.83590 1.00000
Cd3 Cd 0.83375 0.83590 0.49659 1.00000
Cd4 Cd 0.00000 0.17325 0.82675 1.00000
Cd5 Cd 0.00000 0.82675 0.17325 1.00000
Cd6 Cd 0.16625 0.16410 0.50341 1.00000
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