Dy3(BC)4
Alexandria ALEXAlex-ID: agm003381237 · 空间群: Amm2 (#38)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C4_63_spg38
DyB2C Dy(BC)2 Dy2BC2
2022-02-09 01:14:21.309953
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003381237).
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}
}
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# CIF generated by HEAS from Alexandria entry agm003381237
data_agm003381237
_cell_length_a 2.90564
_cell_length_b 5.30237
_cell_length_c 8.69524
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 105.90213
_cell_volume 128.83897
_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
Dy1 Dy 0.40283 0.80567 0.29412 1.00000
Dy2 Dy 0.40283 0.80567 0.70588 1.00000
Dy3 Dy 0.14057 0.28114 0.00000 1.00000
B1 B 0.78116 0.56232 0.50000 1.00000
B2 B 0.40648 0.81296 0.00000 1.00000
B3 B 0.14309 0.28617 0.67696 1.00000
B4 B 0.14309 0.28617 0.32304 1.00000
C1 C 0.64212 0.28424 0.75871 1.00000
C2 C 0.64212 0.28424 0.24129 1.00000
C3 C 0.21402 0.42803 0.50000 1.00000
C4 C 0.88019 0.76038 0.00000 1.00000
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