Rb6Na3Cr2Fe2Ge8Cl3O26
Alexandria ALEXAlex-ID: agm010226973 · 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
A2B2C3D3E6F8G26_0_spg2
Na4CrFe3(GeO3)8 Rb4Ge9O20 Na4Ge9O20 Rb2Fe2Ge3O10 Na3Cr3GeO8 Rb2CrO4 RbCl
2025-03-06 08:42:01
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010226973).
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 agm010226973
data_agm010226973
_cell_length_a 10.10654
_cell_length_b 10.10654
_cell_length_c 9.63872
_cell_angle_alpha 81.44406
_cell_angle_beta 98.55594
_cell_angle_gamma 64.75706
_cell_volume 855.44936
_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
Rb1 Rb 0.65277 0.06857 0.39157 1.00000
Rb2 Rb 0.93143 0.34723 0.39157 1.00000
Rb3 Rb 0.34723 0.93143 0.60843 1.00000
Rb4 Rb 0.06857 0.65277 0.60843 1.00000
Rb5 Rb 0.89925 0.10075 0.14197 1.00000
Rb6 Rb 0.10075 0.89925 0.85803 1.00000
Na1 Na 0.61549 0.61549 0.00000 1.00000
Na2 Na 0.38451 0.38451 0.00000 1.00000
Na3 Na 0.50000 0.50000 0.50000 1.00000
Cr1 Cr 0.50000 0.00000 0.00000 1.00000
Cr2 Cr 0.00000 0.50000 0.00000 1.00000
Fe1 Fe 0.68280 0.68280 0.50000 1.00000
Fe2 Fe 0.31720 0.31720 0.50000 1.00000
Ge1 Ge 0.17674 0.62632 0.22630 1.00000
Ge2 Ge 0.37368 0.82326 0.22630 1.00000
Ge3 Ge 0.82326 0.37368 0.77370 1.00000
Ge4 Ge 0.62632 0.17674 0.77370 1.00000
Ge5 Ge 0.83052 0.74349 0.20412 1.00000
Ge6 Ge 0.25651 0.16948 0.20412 1.00000
Ge7 Ge 0.16948 0.25651 0.79588 1.00000
Ge8 Ge 0.74349 0.83052 0.79588 1.00000
Cl1 Cl 0.39113 0.60887 0.78263 1.00000
Cl2 Cl 0.60887 0.39113 0.21737 1.00000
Cl3 Cl 0.00000 0.00000 0.50000 1.00000
O1 O 0.69418 0.93232 0.12516 1.00000
O2 O 0.06768 0.30582 0.12516 1.00000
O3 O 0.30582 0.06768 0.87484 1.00000
O4 O 0.93232 0.69418 0.87484 1.00000
O5 O 0.99687 0.77187 0.22618 1.00000
O6 O 0.22813 0.00313 0.22618 1.00000
O7 O 0.00313 0.22813 0.77382 1.00000
O8 O 0.77187 0.99687 0.77382 1.00000
O9 O 0.81306 0.68602 0.38143 1.00000
O10 O 0.31398 0.18694 0.38143 1.00000
O11 O 0.18694 0.31398 0.61857 1.00000
O12 O 0.68602 0.81306 0.61857 1.00000
O13 O 0.26237 0.51928 0.40613 1.00000
O14 O 0.48072 0.73763 0.40613 1.00000
O15 O 0.73763 0.48072 0.59387 1.00000
O16 O 0.51928 0.26237 0.59387 1.00000
O17 O 0.86135 0.59095 0.12407 1.00000
O18 O 0.40905 0.13865 0.12407 1.00000
O19 O 0.13865 0.40905 0.87593 1.00000
O20 O 0.59095 0.86135 0.87593 1.00000
O21 O 0.27222 0.72778 0.16313 1.00000
O22 O 0.72778 0.27222 0.83687 1.00000
O23 O 0.17259 0.51470 0.10556 1.00000
O24 O 0.48530 0.82741 0.10556 1.00000
O25 O 0.82741 0.48530 0.89444 1.00000
O26 O 0.51470 0.17259 0.89444 1.00000
