Ba3Cr(SnO2)10
Alexandria ALEXAlex-ID: agm008944547 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C10D20_2_spg2
Sn5O6 Ba2Sn3O8 Cr2O3 SnO
2024-06-24 11:37:11.532597
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008944547).
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 agm008944547
data_agm008944547
_cell_length_a 5.47639
_cell_length_b 9.62968
_cell_length_c 12.32595
_cell_angle_alpha 74.75064
_cell_angle_beta 78.98566
_cell_angle_gamma 73.92920
_cell_volume 597.70298
_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 0.72661 0.32711 0.27694 1.00000
Ba2 Ba 0.27339 0.67289 0.72306 1.00000
Ba3 Ba 0.00000 0.00000 0.00000 1.00000
Cr1 Cr 0.00000 0.50000 0.50000 1.00000
Sn1 Sn 0.39135 0.04655 0.27055 1.00000
Sn2 Sn 0.36202 0.29136 0.04756 1.00000
Sn3 Sn 0.60865 0.95345 0.72945 1.00000
Sn4 Sn 0.63798 0.70864 0.95244 1.00000
Sn5 Sn 0.48167 0.64349 0.39070 1.00000
Sn6 Sn 0.51833 0.35651 0.60930 1.00000
Sn7 Sn 0.80928 0.90447 0.46319 1.00000
Sn8 Sn 0.91437 0.38046 0.81092 1.00000
Sn9 Sn 0.19072 0.09553 0.53681 1.00000
Sn10 Sn 0.08563 0.61954 0.18908 1.00000
O1 O 0.35290 0.85414 0.84869 1.00000
O2 O 0.64710 0.14586 0.15131 1.00000
O3 O 0.90997 0.29273 0.53392 1.00000
O4 O 0.87808 0.54410 0.34661 1.00000
O5 O 0.09003 0.70727 0.46608 1.00000
O6 O 0.12192 0.45590 0.65339 1.00000
O7 O 0.60105 0.84473 0.34567 1.00000
O8 O 0.58381 0.36467 0.76206 1.00000
O9 O 0.39895 0.15527 0.65433 1.00000
O10 O 0.41619 0.63533 0.23794 1.00000
O11 O 0.79034 0.60720 0.81654 1.00000
O12 O 0.49470 0.89163 0.59538 1.00000
O13 O 0.20966 0.39280 0.18346 1.00000
O14 O 0.50530 0.10837 0.40462 1.00000
O15 O 0.61857 0.57298 0.54855 1.00000
O16 O 0.38143 0.42702 0.45145 1.00000
O17 O 0.06074 0.05144 0.38911 1.00000
O18 O 0.20124 0.10392 0.13188 1.00000
O19 O 0.93926 0.94856 0.61089 1.00000
O20 O 0.79876 0.89608 0.86812 1.00000
