Rb7Th6F32
Alexandria ALEXAlex-ID: agm003250331 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A6B7C32_0_spg2
RbF3 RbTh2F9 Rb7Th6F31
2021-12-24 12:48:11.475088
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003250331).
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}
}3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm003250331
data_agm003250331
_cell_length_a 9.78667
_cell_length_b 9.78697
_cell_length_c 9.78581
_cell_angle_alpha 106.73708
_cell_angle_beta 106.74455
_cell_angle_gamma 106.74336
_cell_volume 786.03133
_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 0.92209 0.78057 0.31957 1.00000
Rb2 Rb 0.78054 0.31968 0.92203 1.00000
Rb3 Rb 0.31958 0.92216 0.78058 1.00000
Rb4 Rb 0.07789 0.21950 0.68034 1.00000
Rb5 Rb 0.21954 0.68042 0.07791 1.00000
Rb6 Rb 0.68039 0.07783 0.21936 1.00000
Rb7 Rb 0.00016 0.00025 0.00019 1.00000
Th1 Th 0.38009 0.13836 0.45627 1.00000
Th2 Th 0.13832 0.45630 0.38005 1.00000
Th3 Th 0.45630 0.38006 0.13836 1.00000
Th4 Th 0.61995 0.86164 0.54373 1.00000
Th5 Th 0.86168 0.54378 0.62002 1.00000
Th6 Th 0.54369 0.61988 0.86158 1.00000
F1 F 0.21769 0.02874 0.55278 1.00000
F2 F 0.02872 0.55290 0.21770 1.00000
F3 F 0.55294 0.21784 0.02874 1.00000
F4 F 0.78228 0.97128 0.44712 1.00000
F5 F 0.97147 0.44727 0.78234 1.00000
F6 F 0.44715 0.78220 0.97127 1.00000
F7 F 0.17542 0.93869 0.24703 1.00000
F8 F 0.93859 0.24716 0.17527 1.00000
F9 F 0.24712 0.17532 0.93869 1.00000
F10 F 0.82463 0.06131 0.75296 1.00000
F11 F 0.06126 0.75303 0.82477 1.00000
F12 F 0.75296 0.82462 0.06115 1.00000
F13 F 0.47665 0.94616 0.35834 1.00000
F14 F 0.94611 0.35836 0.47659 1.00000
F15 F 0.35830 0.47656 0.94609 1.00000
F16 F 0.52330 0.05376 0.64162 1.00000
F17 F 0.05386 0.64171 0.52343 1.00000
F18 F 0.64166 0.52346 0.05388 1.00000
F19 F 0.54011 0.65271 0.29880 1.00000
F20 F 0.65284 0.29876 0.54025 1.00000
F21 F 0.29862 0.53995 0.65269 1.00000
F22 F 0.45982 0.34713 0.70132 1.00000
F23 F 0.34721 0.70118 0.45981 1.00000
F24 F 0.70130 0.46000 0.34734 1.00000
F25 F 0.77093 0.59493 0.82872 1.00000
F26 F 0.59502 0.82866 0.77092 1.00000
F27 F 0.82874 0.77106 0.59529 1.00000
F28 F 0.22903 0.40474 0.17130 1.00000
F29 F 0.40502 0.17131 0.22904 1.00000
F30 F 0.17112 0.22884 0.40448 1.00000
F31 F 0.58858 0.58853 0.58859 1.00000
F32 F 0.41146 0.41139 0.41170 1.00000
