Ac2Zn(SeO)2
Alexandria ALEXAlex-ID: agm024375554 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D2_65_spg2
Ac2SeO2 ZnSe
2025-05-07 17:24:32
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024375554).
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 agm024375554
data_agm024375554
_cell_length_a 6.17736
_cell_length_b 6.17736
_cell_length_c 7.47669
_cell_angle_alpha 60.75205
_cell_angle_beta 119.24795
_cell_angle_gamma 140.93118
_cell_volume 153.76486
_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
Ac1 Ac 0.80550 0.19450 0.75730 1.00000
Ac2 Ac 0.19450 0.80550 0.24270 1.00000
Zn1 Zn 0.00000 0.00000 0.50000 1.00000
Se1 Se 0.44525 0.55475 0.18378 1.00000
Se2 Se 0.55475 0.44525 0.81622 1.00000
O1 O 0.81119 0.18881 0.42485 1.00000
O2 O 0.18881 0.81119 0.57515 1.00000
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