La2Co2P5
Alexandria ALEXAlex-ID: agm006220161 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5_159_spg11
CoP2 CoP LaP
2024-02-12 01:22:46
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006220161).
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 agm006220161
data_agm006220161
_cell_length_a 16.59748
_cell_length_b 5.48316
_cell_length_c 7.68365
_cell_angle_alpha 77.89875
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 683.72402
_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
P1 P 0.97458 0.30819 0.77325 1.00000
P2 P 0.00885 0.28406 0.24347 1.00000
P3 P 0.47458 0.69181 0.22675 1.00000
P4 P 0.50885 0.71594 0.75653 1.00000
P5 P 0.02542 0.69181 0.22675 1.00000
P6 P 0.99115 0.71594 0.75653 1.00000
P7 P 0.52542 0.30819 0.77325 1.00000
P8 P 0.49115 0.28406 0.24347 1.00000
P9 P 0.13867 0.08710 0.83869 1.00000
P10 P 0.86004 0.59208 0.39532 1.00000
P11 P 0.63867 0.91290 0.16131 1.00000
P12 P 0.36004 0.40792 0.60468 1.00000
P13 P 0.86133 0.91290 0.16131 1.00000
P14 P 0.13996 0.40792 0.60468 1.00000
P15 P 0.36133 0.08710 0.83869 1.00000
P16 P 0.63996 0.59208 0.39532 1.00000
P17 P 0.25000 0.77451 0.23610 1.00000
P18 P 0.75000 0.79678 0.76276 1.00000
P19 P 0.75000 0.22549 0.76390 1.00000
P20 P 0.25000 0.20322 0.23724 1.00000
Co1 Co 0.00000 0.00000 0.00000 1.00000
Co2 Co 0.00000 0.50000 0.50000 1.00000
Co3 Co 0.50000 0.00000 0.00000 1.00000
Co4 Co 0.50000 0.50000 0.50000 1.00000
Co5 Co 0.25000 0.05306 0.99446 1.00000
Co6 Co 0.75000 0.56137 0.56941 1.00000
Co7 Co 0.75000 0.94694 0.00554 1.00000
Co8 Co 0.25000 0.43863 0.43059 1.00000
La1 La 0.13449 0.54271 0.98350 1.00000
La2 La 0.87737 0.05542 0.52479 1.00000
La3 La 0.63449 0.45729 0.01650 1.00000
La4 La 0.37737 0.94458 0.47521 1.00000
La5 La 0.86544 0.45729 0.01650 1.00000
La6 La 0.12263 0.94458 0.47521 1.00000
La7 La 0.36551 0.54271 0.98350 1.00000
La8 La 0.62263 0.05542 0.52479 1.00000
