RbTeHO3
Alexandria ALEXAlex-ID: agm006791684 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3_389_spg12
RbTeHO3
2025-02-26 20:59:03
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006791684).
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 agm006791684
data_agm006791684
_cell_length_a 6.25585
_cell_length_b 6.77910
_cell_length_c 6.94941
_cell_angle_alpha 106.07571
_cell_angle_beta 97.21508
_cell_angle_gamma 107.59012
_cell_volume 262.81154
_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 0.79305 0.39420 0.20473 1.00000
Rb2 Rb 0.20695 0.60580 0.79527 1.00000
Te1 Te 0.81235 0.97166 0.64862 1.00000
Te2 Te 0.18765 0.02834 0.35138 1.00000
H1 H 0.18366 0.20817 0.06971 1.00000
H2 H 0.81634 0.79183 0.93029 1.00000
O1 O 0.30546 0.22991 0.19187 1.00000
O2 O 0.69454 0.77009 0.80813 1.00000
O3 O 0.02374 0.83238 0.55885 1.00000
O4 O 0.97626 0.16762 0.44115 1.00000
O5 O 0.99122 0.21217 0.87931 1.00000
O6 O 0.00878 0.78783 0.12069 1.00000
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