YCrB14
Alexandria ALEXAlex-ID: agm005753864 · 空间群: Imma (#74)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC14_1_spg74
YB12 CrB4 YB4
2023-07-18 13:59:29.376173
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005753864).
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 agm005753864
data_agm005753864
_cell_length_a 5.85578
_cell_length_b 7.34948
_cell_length_c 7.34948
_cell_angle_alpha 67.83396
_cell_angle_beta 66.52302
_cell_angle_gamma 66.52302
_cell_volume 256.96178
_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
Y1 Y 0.25000 0.37839 0.12161 1.00000
Y2 Y 0.75000 0.62161 0.87839 1.00000
Cr1 Cr 0.50000 0.00000 0.50000 1.00000
Cr2 Cr 0.00000 0.00000 0.50000 1.00000
B1 B 0.66714 0.36389 0.30183 1.00000
B2 B 0.33286 0.63611 0.69817 1.00000
B3 B 0.16714 0.80183 0.86389 1.00000
B4 B 0.83286 0.19817 0.13611 1.00000
B5 B 0.12873 0.24094 0.50160 1.00000
B6 B 0.87127 0.75906 0.49840 1.00000
B7 B 0.62873 0.00160 0.74094 1.00000
B8 B 0.37127 0.99840 0.25906 1.00000
B9 B 0.08398 0.08678 0.74527 1.00000
B10 B 0.91602 0.91322 0.25473 1.00000
B11 B 0.58398 0.24527 0.58678 1.00000
B12 B 0.41602 0.75473 0.41322 1.00000
B13 B 0.72298 0.59842 0.27539 1.00000
B14 B 0.59679 0.40158 0.72461 1.00000
B15 B 0.22298 0.77539 0.09842 1.00000
B16 B 0.09679 0.22461 0.90158 1.00000
B17 B 0.27702 0.40158 0.72461 1.00000
B18 B 0.40321 0.59842 0.27539 1.00000
B19 B 0.77702 0.22461 0.90158 1.00000
B20 B 0.90321 0.77539 0.09842 1.00000
B21 B 0.32639 0.96982 0.87342 1.00000
B22 B 0.16963 0.03018 0.12658 1.00000
B23 B 0.82639 0.37342 0.46982 1.00000
B24 B 0.66963 0.62658 0.53018 1.00000
B25 B 0.67361 0.03018 0.12658 1.00000
B26 B 0.83037 0.96982 0.87342 1.00000
B27 B 0.17361 0.62658 0.53018 1.00000
B28 B 0.33037 0.37342 0.46982 1.00000
