La6Sb5P
Alexandria ALEXAlex-ID: agm003678046 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_8_spg12
LaSb LaP
2022-04-10 01:29:31.358329
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003678046).
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 agm003678046
data_agm003678046
_cell_length_a 7.91350
_cell_length_b 7.92472
_cell_length_c 7.91771
_cell_angle_alpha 59.97070
_cell_angle_beta 80.37536
_cell_angle_gamma 70.48281
_cell_volume 405.18635
_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
La1 La 0.75844 0.08041 0.31996 1.00000
La2 La 0.24156 0.59963 0.31996 1.00000
La3 La 0.24406 0.23815 1.00000 1.00000
La4 La 0.75594 0.76185 0.00000 1.00000
La5 La 0.75844 0.40037 0.68004 1.00000
La6 La 0.24156 0.91959 0.68004 1.00000
Sb1 Sb 0.50000 0.17111 0.65778 1.00000
Sb2 Sb 1.00000 0.33406 0.33187 1.00000
Sb3 Sb 0.50000 0.50000 0.00000 1.00000
Sb4 Sb 0.00000 0.66594 0.66813 1.00000
Sb5 Sb 0.50000 0.82889 0.34222 1.00000
P1 P 0.00000 0.00000 0.00000 1.00000
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