CsRb2TbV2O8
Alexandria ALEXAlex-ID: agm011140539 · 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
ABC2D2E8_37_spg11
CsRb2TbV2O8
2024-08-04 07:04:14.699120
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011140539).
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 agm011140539
data_agm011140539
_cell_length_a 6.13778
_cell_length_b 8.32416
_cell_length_c 10.38040
_cell_angle_alpha 86.77701
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 529.51560
_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 0.25000 0.29787 0.91727 1.00000
Cs2 Cs 0.75000 0.70213 0.08273 1.00000
Rb1 Rb 0.25000 0.50462 0.29566 1.00000
Rb2 Rb 0.75000 0.49538 0.70434 1.00000
Rb3 Rb 0.25000 0.78841 0.58476 1.00000
Rb4 Rb 0.75000 0.21159 0.41524 1.00000
Tb1 Tb 0.25000 0.02455 0.24299 1.00000
Tb2 Tb 0.75000 0.97545 0.75701 1.00000
V1 V 0.25000 0.22483 0.58958 1.00000
V2 V 0.75000 0.77517 0.41042 1.00000
V3 V 0.25000 0.79075 0.92854 1.00000
V4 V 0.75000 0.20925 0.07146 1.00000
O1 O 0.25000 0.42975 0.59426 1.00000
O2 O 0.75000 0.57025 0.40574 1.00000
O3 O 0.25000 0.94006 0.04020 1.00000
O4 O 0.75000 0.05994 0.95980 1.00000
O5 O 0.25000 0.17238 0.42760 1.00000
O6 O 0.75000 0.82762 0.57240 1.00000
O7 O 0.48826 0.14832 0.66650 1.00000
O8 O 0.51174 0.85168 0.33350 1.00000
O9 O 0.98826 0.85168 0.33350 1.00000
O10 O 0.01174 0.14832 0.66650 1.00000
O11 O 0.48338 0.80032 0.82856 1.00000
O12 O 0.51662 0.19968 0.17144 1.00000
O13 O 0.98338 0.19968 0.17144 1.00000
O14 O 0.01662 0.80032 0.82856 1.00000
O15 O 0.25000 0.61469 0.02068 1.00000
O16 O 0.75000 0.38531 0.97932 1.00000
