LaPr3C2
Alexandria ALEXAlex-ID: agm020087207 · 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_1850_spg12
PrC Pr LaC
2025-04-13 14:34:23
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020087207).
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 agm020087207
data_agm020087207
_cell_length_a 7.78158
_cell_length_b 7.78158
_cell_length_c 12.85497
_cell_angle_alpha 65.09089
_cell_angle_beta 114.90911
_cell_angle_gamma 152.37463
_cell_volume 325.22211
_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
La1 La 0.85656 0.14344 0.76228 1.00000
La2 La 0.14344 0.85656 0.23772 1.00000
Pr1 Pr 0.14464 0.85536 0.73774 1.00000
Pr2 Pr 0.85536 0.14464 0.26226 1.00000
Pr3 Pr 0.35517 0.64483 0.51151 1.00000
Pr4 Pr 0.64483 0.35517 0.48849 1.00000
Pr5 Pr 0.64547 0.35453 0.98878 1.00000
Pr6 Pr 0.35453 0.64547 0.01122 1.00000
C1 C 0.25034 0.74966 0.62516 1.00000
C2 C 0.74966 0.25034 0.37484 1.00000
C3 C 0.74984 0.25016 0.87468 1.00000
C4 C 0.25016 0.74984 0.12532 1.00000
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