Ba2B4Os5
Alexandria ALEXAlex-ID: agm002199892 · Space group: Fmm2 (#42)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_20_spg69
Ba BaB6 Os
2018-07-14 10:36:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002199892).
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
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# CIF generated by HEAS from Alexandria entry agm002199892
data_agm002199892
_cell_length_a 5.70734
_cell_length_b 6.06347
_cell_length_c 6.36983
_cell_angle_alpha 77.76965
_cell_angle_beta 63.36285
_cell_angle_gamma 61.80333
_cell_volume 173.65719
_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
B1 B 0.78126 0.65574 0.74375 1.00000
B2 B 0.18189 0.34290 0.25597 1.00000
B3 B 0.52452 0.65658 0.25608 1.00000
B4 B 0.43779 0.34371 0.74388 1.00000
Os1 Os 0.53911 0.99991 0.00014 1.00000
Os2 Os 0.96427 0.54926 0.99993 1.00000
Os3 Os 0.51278 0.45164 0.00008 1.00000
Os4 Os 0.24096 0.49984 0.49968 1.00000
Os5 Os 0.74078 0.50002 0.49983 1.00000
Ba1 Ba 0.88882 0.00018 0.29916 1.00000
Ba2 Ba 0.18766 0.00020 0.70150 1.00000
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