Pr2TmAs3
Alexandria ALEXAlex-ID: agm017366532 · 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
AB2C3_1840_spg65
TmAs PrAs
2025-04-15 04:04:23
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017366532).
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 agm017366532
data_agm017366532
_cell_length_a 7.32755
_cell_length_b 7.32755
_cell_length_c 7.32286
_cell_angle_alpha 80.39217
_cell_angle_beta 99.60783
_cell_angle_gamma 60.00810
_cell_volume 321.00902
_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 0.50000 0.50000 0.50000 1.00000
Pr2 Pr 0.00000 0.00000 0.00000 1.00000
Pr3 Pr 0.83508 0.83508 0.50000 1.00000
Pr4 Pr 0.16492 0.16492 0.50000 1.00000
Tm1 Tm 0.66730 0.66730 0.00000 1.00000
Tm2 Tm 0.33270 0.33270 0.00000 1.00000
As1 As 0.73824 0.26176 0.23883 1.00000
As2 As 0.26176 0.73824 0.76117 1.00000
As3 As 0.08030 0.57848 0.24063 1.00000
As4 As 0.42152 0.91970 0.24063 1.00000
As5 As 0.57848 0.08030 0.75937 1.00000
As6 As 0.91970 0.42152 0.75937 1.00000
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