Sc8BePd4
Alexandria ALEXAlex-ID: agm097658153 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_799_spg65
Sc2Pd ScBe5 ScPd
2025-06-02 11:58:48
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097658153).
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 agm097658153
data_agm097658153
_cell_length_a 3.70491
_cell_length_b 8.42971
_cell_length_c 10.15683
_cell_angle_alpha 56.63694
_cell_angle_beta 90.00493
_cell_angle_gamma 90.00521
_cell_volume 264.93549
_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
Sc1 Sc 0.80762 0.04353 0.22715 1.00000
Sc2 Sc 0.80765 0.68560 0.17667 1.00000
Sc3 Sc 0.80782 0.76352 0.64283 1.00000
Sc4 Sc 0.80800 0.22908 0.51992 1.00000
Sc5 Sc 0.30765 0.65848 0.43182 1.00000
Sc6 Sc 0.30772 0.37328 0.19429 1.00000
Sc7 Sc 0.30765 0.34574 0.88234 1.00000
Sc8 Sc 0.30780 0.87062 0.85264 1.00000
Be1 Be 0.30745 0.95481 0.08645 1.00000
Pd1 Pd 0.80757 0.07150 0.90765 1.00000
Pd2 Pd 0.80770 0.54442 0.96211 1.00000
Pd3 Pd 0.80757 0.44014 0.64326 1.00000
Pd4 Pd 0.30780 0.01928 0.47286 1.00000
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