LaP8Ru
Alexandria ALEXAlex-ID: agm011728811 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC8_143_spg1
LaP5 LaP2 P4Ru
2024-05-01 01:48:24.388736
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011728811).
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 agm011728811
data_agm011728811
_cell_length_a 5.90051
_cell_length_b 7.15920
_cell_length_c 9.52201
_cell_angle_alpha 87.39932
_cell_angle_beta 75.53243
_cell_angle_gamma 82.06020
_cell_volume 385.72350
_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 0.99601 0.26777 0.45414 1.00000
La2 La 0.42566 0.68444 0.42321 1.00000
P1 P 0.68763 0.95533 0.55480 1.00000
P2 P 0.65299 0.49520 0.72297 1.00000
P3 P 0.84507 0.66416 0.54051 1.00000
P4 P 0.95870 0.49699 0.19473 1.00000
P5 P 0.19137 0.68122 0.03799 1.00000
P6 P 0.49147 0.93554 0.79138 1.00000
P7 P 0.76790 0.40135 0.04602 1.00000
P8 P 0.03392 0.67372 0.84542 1.00000
P9 P 0.52326 0.28560 0.33963 1.00000
P10 P 0.96416 0.14903 0.92823 1.00000
P11 P 0.38429 0.07762 0.23845 1.00000
P12 P 0.28369 0.43170 0.72232 1.00000
P13 P 0.20226 0.89100 0.69574 1.00000
P14 P 0.64450 0.84227 0.14164 1.00000
P15 P 0.32393 0.22823 0.90798 1.00000
P16 P 0.97024 0.96342 0.12829 1.00000
Ru1 Ru 0.37756 0.37023 0.11623 1.00000
Ru2 Ru 0.62027 0.67681 0.93197 1.00000
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