Pr2TlZn5
Alexandria ALEXAlex-ID: agm005993471 · 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
AB2C5_146_spg63
PrTlZn PrZn4
2023-09-06 07:09:54
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005993471).
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 agm005993471
data_agm005993471
_cell_length_a 4.51792
_cell_length_b 8.67814
_cell_length_c 9.14982
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 105.08814
_cell_volume 346.37129
_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
Pr1 Pr 0.79342 0.58685 0.75000 1.00000
Pr2 Pr 0.20658 0.41315 0.25000 1.00000
Pr3 Pr 0.00000 0.00000 0.00000 1.00000
Pr4 Pr 0.00000 0.00000 0.50000 1.00000
Tl1 Tl 0.44467 0.88933 0.75000 1.00000
Tl2 Tl 0.55533 0.11067 0.25000 1.00000
Zn1 Zn 0.18475 0.36950 0.89112 1.00000
Zn2 Zn 0.81525 0.63050 0.10888 1.00000
Zn3 Zn 0.18475 0.36950 0.60888 1.00000
Zn4 Zn 0.81525 0.63050 0.39112 1.00000
Zn5 Zn 0.34359 0.68717 0.98504 1.00000
Zn6 Zn 0.65641 0.31283 0.01496 1.00000
Zn7 Zn 0.34359 0.68717 0.51496 1.00000
Zn8 Zn 0.65641 0.31283 0.48504 1.00000
Zn9 Zn 0.60527 0.21054 0.75000 1.00000
Zn10 Zn 0.39473 0.78946 0.25000 1.00000
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