Pr2GeAs
Alexandria ALEXAlex-ID: agm005753898 · 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
ABC2_434_spg63
PrGe PrAs
2023-07-12 02:43:56.663302
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005753898).
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 agm005753898
data_agm005753898
_cell_length_a 4.18313
_cell_length_b 4.41684
_cell_length_c 12.09631
_cell_angle_alpha 100.51949
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 219.73778
_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 0.75000 0.68705 0.37410 1.00000
Pr2 Pr 0.25000 0.31295 0.62590 1.00000
Pr3 Pr 0.75000 0.93454 0.86908 1.00000
Pr4 Pr 0.25000 0.06546 0.13092 1.00000
Ge1 Ge 0.25000 0.46143 0.92286 1.00000
Ge2 Ge 0.75000 0.53857 0.07714 1.00000
As1 As 0.25000 0.18795 0.37589 1.00000
As2 As 0.75000 0.81205 0.62411 1.00000
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