Rb(CuAs2)4
Alexandria ALEXAlex-ID: agm097921604 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1680_spg1
RbAs15 Rb3As11 Cu
2025-06-13 11:57:37
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097921604).
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 agm097921604
data_agm097921604
_cell_length_a 4.57088
_cell_length_b 8.92189
_cell_length_c 8.61684
_cell_angle_alpha 61.55131
_cell_angle_beta 82.56017
_cell_angle_gamma 81.55900
_cell_volume 304.90408
_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 0.98116 0.96345 0.97306 1.00000
Cu1 Cu 0.16115 0.37063 0.87852 1.00000
Cu2 Cu 0.77928 0.26997 0.13537 1.00000
Cu3 Cu 0.96721 0.40044 0.56238 1.00000
Cu4 Cu 0.93860 0.92747 0.40810 1.00000
As1 As 0.27855 0.14944 0.24620 1.00000
As2 As 0.24679 0.59991 0.30475 1.00000
As3 As 0.35068 0.68410 0.71845 1.00000
As4 As 0.31809 0.16219 0.53397 1.00000
As5 As 0.46196 0.79002 0.39405 1.00000
As6 As 0.67118 0.38096 0.35273 1.00000
As7 As 0.67095 0.39886 0.81158 1.00000
As8 As 0.67439 0.90255 0.68084 1.00000
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