Cs5Sm2Si4O13F
Alexandria ALEXAlex-ID: agm010901207 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4D5E13_2_spg12
Cs3Sm(SiO3)3 CsF Sm2O3
2024-11-08 04:26:57.234248
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010901207).
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 agm010901207
data_agm010901207
_cell_length_a 10.16983
_cell_length_b 10.16983
_cell_length_c 7.61661
_cell_angle_alpha 88.13923
_cell_angle_beta 88.13923
_cell_angle_gamma 34.46059
_cell_volume 445.48329
_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
Cs1 Cs 0.00000 0.00000 0.00000 1.00000
Cs2 Cs 0.43814 0.43814 0.66841 1.00000
Cs3 Cs 0.56186 0.56186 0.33159 1.00000
Cs4 Cs 0.75455 0.75455 0.30703 1.00000
Cs5 Cs 0.24545 0.24545 0.69297 1.00000
Sm1 Sm 0.63380 0.63380 0.86585 1.00000
Sm2 Sm 0.36620 0.36620 0.13415 1.00000
Si1 Si 0.82810 0.82810 0.82164 1.00000
Si2 Si 0.17190 0.17190 0.17836 1.00000
Si3 Si 0.91870 0.91870 0.43792 1.00000
Si4 Si 0.08130 0.08130 0.56208 1.00000
O1 O 0.07677 0.62437 0.92446 1.00000
O2 O 0.37563 0.92323 0.07554 1.00000
O3 O 0.92323 0.37563 0.07554 1.00000
O4 O 0.62437 0.07677 0.92446 1.00000
O5 O 0.74565 0.74565 0.77651 1.00000
O6 O 0.25435 0.25435 0.22349 1.00000
O7 O 0.87092 0.87092 0.62368 1.00000
O8 O 0.12908 0.12908 0.37632 1.00000
O9 O 0.13129 0.67719 0.32903 1.00000
O10 O 0.32281 0.86871 0.67097 1.00000
O11 O 0.86871 0.32281 0.67097 1.00000
O12 O 0.67719 0.13129 0.32903 1.00000
O13 O 0.00000 0.00000 0.50000 1.00000
F1 F 0.50000 0.50000 0.00000 1.00000
