CaBiO3
Alexandria ALEXAlex-ID: agm005755422 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_8620_spg11
CaBiO3
2023-07-07 22:18:49.373534
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755422).
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 agm005755422
data_agm005755422
_cell_length_a 4.76059
_cell_length_b 4.54038
_cell_length_c 9.04404
_cell_angle_alpha 89.96315
_cell_angle_beta 57.14315
_cell_angle_gamma 89.95832
_cell_volume 164.21364
_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
Ca1 Ca 0.73715 0.51291 0.29082 1.00000
Ca2 Ca 0.36607 0.01291 0.17273 1.00000
Bi1 Bi 0.94119 0.51335 0.61535 1.00000
Bi2 Bi 0.16201 0.01264 0.84817 1.00000
O1 O 0.21012 0.51289 0.30968 1.00000
O2 O 0.37431 0.76760 0.56539 1.00000
O3 O 0.37465 0.25949 0.56571 1.00000
O4 O 0.72858 0.26657 0.89782 1.00000
O5 O 0.89310 0.01294 0.15386 1.00000
O6 O 0.72886 0.75848 0.89808 1.00000
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