Rb3PmSm2O6
Alexandria ALEXAlex-ID: agm034843829 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
RbPmO2 RbSmO2
2024-11-13 03:19:24.755426
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034843829).
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 agm034843829
data_agm034843829
_cell_length_a 8.61246
_cell_length_b 8.61246
_cell_length_c 7.81098
_cell_angle_alpha 71.20414
_cell_angle_beta 71.20414
_cell_angle_gamma 24.26976
_cell_volume 224.83826
_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 0.50000 0.50000 0.50000 1.00000
Rb2 Rb 0.16683 0.16683 0.16684 1.00000
Rb3 Rb 0.83317 0.83317 0.83316 1.00000
Pm1 Pm 0.50000 0.50000 0.00000 1.00000
Sm1 Sm 0.16691 0.16691 0.66616 1.00000
Sm2 Sm 0.83309 0.83309 0.33384 1.00000
O1 O 0.65151 0.65151 0.87622 1.00000
O2 O 0.31738 0.31738 0.54390 1.00000
O3 O 0.34849 0.34849 0.12378 1.00000
O4 O 0.98382 0.98382 0.21185 1.00000
O5 O 0.01618 0.01618 0.78815 1.00000
O6 O 0.68262 0.68262 0.45610 1.00000
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