RbMnTlCl4
Alexandria ALEXAlex-ID: agm063373737 · Space group: I4mm (#107)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD4_88_spg107
RbMnTlCl4
2024-09-13 11:10:23.347883
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm063373737).
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
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# CIF generated by HEAS from Alexandria entry agm063373737
data_agm063373737
_cell_length_a 8.84487
_cell_length_b 8.84487
_cell_length_c 8.84487
_cell_angle_alpha 146.60501
_cell_angle_beta 146.60501
_cell_angle_gamma 47.94898
_cell_volume 208.77456
_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 0.35674 0.35674 0.00000 1.00000
Mn1 Mn 0.00023 0.00023 0.00000 1.00000
Tl1 Tl 0.64087 0.64087 0.00000 1.00000
Cl1 Cl 0.00147 0.50147 0.50000 1.00000
Cl2 Cl 0.50147 0.00147 0.50000 1.00000
Cl3 Cl 0.84380 0.84380 0.00000 1.00000
Cl4 Cl 0.15541 0.15541 0.00000 1.00000
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