Ac3Sb2P
Alexandria ALEXAlex-ID: agm005759774 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_36_spg70
AcSb AcP
2023-08-24 09:07:00.814169
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005759774).
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 agm005759774
data_agm005759774
_cell_length_a 8.11870
_cell_length_b 8.11870
_cell_length_c 14.77616
_cell_angle_alpha 100.57017
_cell_angle_beta 100.57017
_cell_angle_gamma 109.40683
_cell_volume 871.08551
_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
Ac1 Ac 0.16332 0.67759 0.82663 1.00000
Ac2 Ac 0.66331 0.14905 0.82663 1.00000
Ac3 Ac 0.08668 0.07241 0.67337 1.00000
Ac4 Ac 0.58669 0.60095 0.67337 1.00000
Ac5 Ac 0.01680 0.51680 0.50000 1.00000
Ac6 Ac 0.48320 0.98320 0.50000 1.00000
Ac7 Ac 0.39905 0.41331 0.32663 1.00000
Ac8 Ac 0.92759 0.91332 0.32663 1.00000
Ac9 Ac 0.85095 0.33669 0.17337 1.00000
Ac10 Ac 0.32241 0.83668 0.17337 1.00000
Ac11 Ac 0.23320 0.23320 1.00000 1.00000
Ac12 Ac 0.76680 0.76680 0.00000 1.00000
Sb1 Sb 0.99864 0.49864 0.99728 1.00000
Sb2 Sb 0.41870 0.41870 0.83741 1.00000
Sb3 Sb 0.83130 0.33130 0.66260 1.00000
Sb4 Sb 0.25136 0.25136 0.50272 1.00000
Sb5 Sb 0.74864 0.74864 0.49728 1.00000
Sb6 Sb 0.66870 0.16870 0.33740 1.00000
Sb7 Sb 0.58130 0.58130 0.16259 1.00000
Sb8 Sb 0.50136 0.00136 0.00272 1.00000
P1 P 0.91653 0.91653 0.83306 1.00000
P2 P 0.33347 0.83347 0.66694 1.00000
P3 P 0.16653 0.66653 0.33306 1.00000
P4 P 0.08347 0.08347 0.16694 1.00000
