RbMgTa
Alexandria ALEXAlex-ID: agm003100745 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_2283_spg1
Rb Mg Ta
2015-07-11 20:36:51
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003100745).
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 agm003100745
data_agm003100745
_cell_length_a 6.29125
_cell_length_b 3.09732
_cell_length_c 11.61462
_cell_angle_alpha 104.68350
_cell_angle_beta 103.32830
_cell_angle_gamma 76.11249
_cell_volume 209.03315
_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
Mg1 Mg 0.94266 0.69391 0.50155 1.00000
Mg2 Mg 0.77445 0.17399 0.91986 1.00000
Rb1 Rb 0.48818 0.47346 0.61558 1.00000
Rb2 Rb 0.33214 0.69462 0.22187 1.00000
Ta1 Ta 0.29974 0.90098 0.90446 1.00000
Ta2 Ta 0.03012 0.38906 0.75443 1.00000
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