Ba3SrCe2(MoO6)2
Alexandria ALEXAlex-ID: agm010782276 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D3E12_4_spg160
Ba2CeMoO6 SrMoO3 Sr2CeO4 CeO2
2025-03-05 09:41:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010782276).
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 agm010782276
data_agm010782276
_cell_length_a 6.05796
_cell_length_b 6.08274
_cell_length_c 10.46672
_cell_angle_alpha 90.50937
_cell_angle_beta 106.48260
_cell_angle_gamma 120.25098
_cell_volume 314.06388
_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
Ba1 Ba 0.75565 0.37760 0.12502 1.00000
Ba2 Ba 0.74839 0.88075 0.62474 1.00000
Ba3 Ba 0.24602 0.12062 0.37431 1.00000
Sr1 Sr 0.24991 0.61060 0.87693 1.00000
Ce1 Ce 0.00123 0.00002 0.99712 1.00000
Ce2 Ce 0.00057 0.50098 0.50266 1.00000
Mo1 Mo 0.50084 0.75009 0.24815 1.00000
Mo2 Mo 0.49998 0.25129 0.75234 1.00000
O1 O 0.29860 0.41715 0.10688 1.00000
O2 O 0.29183 0.91145 0.61399 1.00000
O3 O 0.70686 0.09032 0.38540 1.00000
O4 O 0.68475 0.58726 0.88654 1.00000
O5 O 0.24466 0.57279 0.36767 1.00000
O6 O 0.25858 0.04568 0.86566 1.00000
O7 O 0.75911 0.93012 0.13099 1.00000
O8 O 0.73630 0.42729 0.63469 1.00000
O9 O 0.75591 0.64009 0.35765 1.00000
O10 O 0.79766 0.16691 0.85958 1.00000
O11 O 0.24262 0.85935 0.14046 1.00000
O12 O 0.22055 0.35965 0.64924 1.00000
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