Ca5BiSb2As
Alexandria ALEXAlex-ID: agm005178599 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_208_spg71
Ca3SbAs Ca4As3 Ca5Sb4 Ca11Bi10
2023-01-21 05:37:29.338149
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005178599).
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 agm005178599
data_agm005178599
_cell_length_a 5.28790
_cell_length_b 7.54667
_cell_length_c 9.03655
_cell_angle_alpha 114.68086
_cell_angle_beta 107.01272
_cell_angle_gamma 90.00000
_cell_volume 310.21786
_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 0.63987 0.89260 0.27973 1.00000
Ca2 Ca 0.36013 0.10740 0.72027 1.00000
Ca3 Ca 0.36013 0.61287 0.72027 1.00000
Ca4 Ca 0.63987 0.38713 0.27973 1.00000
Ca5 Ca 0.00000 0.00000 0.00000 1.00000
Bi1 Bi 0.00000 0.50000 0.00000 1.00000
Sb1 Sb 0.20140 0.20140 0.40280 1.00000
Sb2 Sb 0.79860 0.79860 0.59720 1.00000
As1 As 0.50000 0.00000 0.00000 1.00000
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