V2Cd(PO7)2
Alexandria ALEXAlex-ID: agm005289735 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D14_25_spg1
VPO5 Cd2P2O7 Cd(PO5)2 V2CdO10
2023-05-08 03:45:49.491718
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005289735).
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
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# CIF generated by HEAS from Alexandria entry agm005289735
data_agm005289735
_cell_length_a 6.33298
_cell_length_b 6.32705
_cell_length_c 7.36040
_cell_angle_alpha 84.70005
_cell_angle_beta 105.61447
_cell_angle_gamma 89.98317
_cell_volume 282.72828
_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
V1 V 0.07116 0.06077 0.35409 1.00000
V2 V 0.64753 0.53692 0.55333 1.00000
Cd1 Cd 0.05254 0.12691 0.84162 1.00000
P1 P 0.61900 0.04236 0.47756 1.00000
P2 P 0.11976 0.54082 0.47820 1.00000
O1 O 0.14115 0.05053 0.60517 1.00000
O2 O 0.75881 0.06593 0.33625 1.00000
O3 O 0.67389 0.22053 0.61903 1.00000
O4 O 0.07494 0.37222 0.33703 1.00000
O5 O 0.97229 0.50956 0.62101 1.00000
O6 O 0.58521 0.55733 0.32823 1.00000
O7 O 0.36602 0.52466 0.60155 1.00000
O8 O 0.07010 0.75391 0.35992 1.00000
O9 O 0.67634 0.82587 0.60758 1.00000
O10 O 0.38259 0.05491 0.35896 1.00000
O11 O 0.00501 0.08169 0.10648 1.00000
O12 O 0.56350 0.32746 0.97321 1.00000
O13 O 0.69006 0.48240 0.95862 1.00000
O14 O 0.37211 0.37623 0.99003 1.00000
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