V3CdP3O13
Alexandria ALEXAlex-ID: agm020539743 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C3D13_0_spg11
V2CdP2O9 VPO4
2025-03-05 10:43:35
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020539743).
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 agm020539743
data_agm020539743
_cell_length_a 7.63701
_cell_length_b 6.37323
_cell_length_c 10.50052
_cell_angle_alpha 90.00000
_cell_angle_beta 100.11617
_cell_angle_gamma 90.00000
_cell_volume 503.14012
_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 0.35878 0.75000 0.69938 1.00000
V2 V 0.64122 0.25000 0.30062 1.00000
V3 V 0.77712 0.75000 0.93760 1.00000
V4 V 0.00000 0.50000 0.50000 1.00000
V5 V 0.22288 0.25000 0.06240 1.00000
V6 V 0.00000 0.00000 0.50000 1.00000
Cd1 Cd 0.65282 0.25000 0.68877 1.00000
Cd2 Cd 0.34718 0.75000 0.31123 1.00000
P1 P 0.21704 0.75000 0.98757 1.00000
P2 P 0.78296 0.25000 0.01243 1.00000
P3 P 0.73707 0.75000 0.26356 1.00000
P4 P 0.26293 0.25000 0.73644 1.00000
P5 P 0.31787 0.25000 0.38647 1.00000
P6 P 0.68213 0.75000 0.61353 1.00000
O1 O 0.35879 0.25000 0.24645 1.00000
O2 O 0.74299 0.44107 0.91813 1.00000
O3 O 0.79023 0.75000 0.13160 1.00000
O4 O 0.21212 0.45335 0.40364 1.00000
O5 O 0.65823 0.25000 0.11117 1.00000
O6 O 0.87877 0.25000 0.40901 1.00000
O7 O 0.34177 0.75000 0.88883 1.00000
O8 O 0.78788 0.95335 0.59636 1.00000
O9 O 0.02168 0.75000 0.91617 1.00000
O10 O 0.97832 0.25000 0.08383 1.00000
O11 O 0.61691 0.93834 0.28830 1.00000
O12 O 0.12123 0.75000 0.59099 1.00000
O13 O 0.38309 0.43834 0.71170 1.00000
O14 O 0.50905 0.25000 0.46629 1.00000
O15 O 0.20977 0.25000 0.86840 1.00000
O16 O 0.78788 0.54665 0.59636 1.00000
O17 O 0.74299 0.05893 0.91813 1.00000
O18 O 0.25701 0.55893 0.08187 1.00000
O19 O 0.61691 0.56166 0.28830 1.00000
O20 O 0.64121 0.75000 0.75355 1.00000
O21 O 0.09219 0.25000 0.62920 1.00000
O22 O 0.90781 0.75000 0.37080 1.00000
O23 O 0.38309 0.06166 0.71170 1.00000
O24 O 0.21212 0.04665 0.40364 1.00000
O25 O 0.25701 0.94107 0.08187 1.00000
O26 O 0.49095 0.75000 0.53371 1.00000
