BaSbPb
Alexandria ALEXAlex-ID: agm003202089 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_8_spg63
BaSbPb
2021-12-03 04:51:25.068509
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003202089).
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 agm003202089
data_agm003202089
_cell_length_a 6.79391
_cell_length_b 4.96554
_cell_length_c 7.00601
_cell_angle_alpha 89.99971
_cell_angle_beta 90.00025
_cell_angle_gamma 111.48757
_cell_volume 219.92395
_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
Pb1 Pb 0.90428 0.78245 0.01809 1.00000
Pb2 Pb 0.91784 0.78912 0.51814 1.00000
Sb1 Sb 0.14532 0.40307 0.74873 1.00000
Sb2 Sb 0.67666 0.16843 0.24870 1.00000
Ba1 Ba 0.27394 0.46726 0.25103 1.00000
Ba2 Ba 0.54806 0.10421 0.75100 1.00000
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