RbMo2I
Alexandria ALEXAlex-ID: agm002879397 · Space group: I-42d (#122)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_139_spg141
Mo RbI
2023-03-26 16:00:43.983979
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002879397).
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 agm002879397
data_agm002879397
_cell_length_a 4.85761
_cell_length_b 4.85761
_cell_length_c 10.75121
_cell_angle_alpha 76.94360
_cell_angle_beta 76.94360
_cell_angle_gamma 90.00000
_cell_volume 240.39410
_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
I1 I 0.00000 0.00000 0.00000 1.00000
I2 I 0.75000 0.25000 0.50000 1.00000
Mo1 Mo 0.84795 0.12500 0.25000 1.00000
Mo2 Mo 0.90205 0.62500 0.25000 1.00000
Mo3 Mo 0.37500 0.15205 0.75000 1.00000
Mo4 Mo 0.87500 0.09795 0.75000 1.00000
Rb1 Rb 0.50000 0.50000 0.00000 1.00000
Rb2 Rb 0.25000 0.75000 0.50000 1.00000
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