Cs2SrCd2O4
Alexandria ALEXAlex-ID: agm004557516 · 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
AB2C2D4_0_spg12
SrCdO2 Cs2CdO2
2022-06-19 19:16:10.191989
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004557516).
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 agm004557516
data_agm004557516
_cell_length_a 3.87953
_cell_length_b 7.21626
_cell_length_c 7.66153
_cell_angle_alpha 107.95878
_cell_angle_beta 104.66589
_cell_angle_gamma 90.00000
_cell_volume 196.68011
_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
Cs1 Cs 0.12543 0.51536 0.25086 1.00000
Cs2 Cs 0.87457 0.48464 0.74914 1.00000
Sr1 Sr 0.00000 0.00000 0.00000 1.00000
Cd1 Cd 0.66829 0.96453 0.33659 1.00000
Cd2 Cd 0.33171 0.03547 0.66341 1.00000
O1 O 0.19947 0.14172 0.39894 1.00000
O2 O 0.80053 0.85828 0.60106 1.00000
O3 O 0.52078 0.78369 0.04155 1.00000
O4 O 0.47922 0.21631 0.95845 1.00000
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