BaUVO6
Alexandria ALEXAlex-ID: agm019064560 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_675_spg14
BaUVO6
2024-12-09 08:31:58
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm019064560).
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 agm019064560
data_agm019064560
_cell_length_a 6.57410
_cell_length_b 8.61247
_cell_length_c 10.28740
_cell_angle_alpha 90.00000
_cell_angle_beta 102.86291
_cell_angle_gamma 90.00000
_cell_volume 567.84761
_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 0.46131 0.76235 0.16033 1.00000
Ba2 Ba 0.53869 0.23765 0.83967 1.00000
Ba3 Ba 0.53869 0.26235 0.33967 1.00000
Ba4 Ba 0.46131 0.73765 0.66033 1.00000
U1 U 0.97937 0.48012 0.17840 1.00000
U2 U 0.97937 0.01988 0.67840 1.00000
U3 U 0.02063 0.51988 0.82160 1.00000
U4 U 0.02063 0.98012 0.32160 1.00000
V1 V 0.88533 0.84920 0.95032 1.00000
V2 V 0.11467 0.34920 0.54968 1.00000
V3 V 0.11467 0.15080 0.04968 1.00000
V4 V 0.88533 0.65080 0.45032 1.00000
O1 O 0.27123 0.99316 0.73826 1.00000
O2 O 0.92928 0.43714 0.39002 1.00000
O3 O 0.31284 0.95777 0.37050 1.00000
O4 O 0.68716 0.45777 0.12950 1.00000
O5 O 0.92614 0.71609 0.27833 1.00000
O6 O 0.72877 0.00684 0.26174 1.00000
O7 O 0.01151 0.84910 0.51567 1.00000
O8 O 0.98849 0.34910 0.98433 1.00000
O9 O 0.92614 0.78391 0.77833 1.00000
O10 O 0.07072 0.93714 0.10998 1.00000
O11 O 0.98849 0.15090 0.48433 1.00000
O12 O 0.92928 0.06286 0.89002 1.00000
O13 O 0.37301 0.33951 0.55309 1.00000
O14 O 0.68716 0.04223 0.62950 1.00000
O15 O 0.37301 0.16049 0.05309 1.00000
O16 O 0.62699 0.66049 0.44691 1.00000
O17 O 0.62699 0.83951 0.94691 1.00000
O18 O 0.01151 0.65090 0.01567 1.00000
O19 O 0.07386 0.28391 0.72167 1.00000
O20 O 0.31284 0.54223 0.87050 1.00000
O21 O 0.07072 0.56286 0.60998 1.00000
O22 O 0.07386 0.21609 0.22167 1.00000
O23 O 0.72877 0.49316 0.76174 1.00000
O24 O 0.27123 0.50684 0.23826 1.00000
