Pm2PaSnO8
Alexandria ALEXAlex-ID: agm004900540 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_359_spg10
Pm2Sn2O7 PmO8 SnO2 PmPaO4
2023-01-07 11:03:00.637305
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004900540).
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 agm004900540
data_agm004900540
_cell_length_a 3.77368
_cell_length_b 5.51173
_cell_length_c 7.97921
_cell_angle_alpha 84.42531
_cell_angle_beta 89.99834
_cell_angle_gamma 89.99656
_cell_volume 165.17870
_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
Pm1 Pm 0.49999 0.48255 0.75197 1.00000
Pm2 Pm 0.50001 0.51745 0.24803 1.00000
Pa1 Pa 0.00000 0.00000 0.50000 1.00000
Sn1 Sn 0.00000 0.00000 0.00000 1.00000
O1 O 0.99997 0.80595 0.23044 1.00000
O2 O 0.50004 0.77260 0.97603 1.00000
O3 O 0.00004 0.27521 0.28661 1.00000
O4 O 0.00003 0.19405 0.76956 1.00000
O5 O 0.49996 0.22740 0.02397 1.00000
O6 O 0.99996 0.72479 0.71339 1.00000
O7 O 0.49996 0.76803 0.47877 1.00000
O8 O 0.50004 0.23197 0.52123 1.00000
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