Rb2ZnCu3F10
Alexandria ALEXAlex-ID: agm019990262 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D10_1_spg2
ZnF2 RbCuF3 CuF2
2024-12-17 15:45:35
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm019990262).
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 agm019990262
data_agm019990262
_cell_length_a 7.14988
_cell_length_b 7.14988
_cell_length_c 7.40526
_cell_angle_alpha 59.35262
_cell_angle_beta 120.64738
_cell_angle_gamma 127.68838
_cell_volume 246.57746
_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 0.39162 0.60838 0.63785 1.00000
Rb2 Rb 0.60838 0.39162 0.36215 1.00000
Zn1 Zn 0.00000 0.00000 0.00000 1.00000
Cu1 Cu 0.00000 0.00000 0.50000 1.00000
Cu2 Cu 0.50000 0.00000 0.00000 1.00000
Cu3 Cu 0.00000 0.50000 0.00000 1.00000
F1 F 0.63455 0.87776 0.30543 1.00000
F2 F 0.36545 0.12224 0.69457 1.00000
F3 F 0.88508 0.63716 0.06026 1.00000
F4 F 0.11492 0.36284 0.93974 1.00000
F5 F 0.92384 0.07616 0.66335 1.00000
F6 F 0.63716 0.88508 0.93974 1.00000
F7 F 0.07616 0.92384 0.33665 1.00000
F8 F 0.36284 0.11492 0.06026 1.00000
F9 F 0.12224 0.36545 0.30543 1.00000
F10 F 0.87776 0.63455 0.69457 1.00000
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