Sb(PH2)3
Alexandria ALEXAlex-ID: agm071292854 · Space group: P4_332 (#212)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_2645_spg212
PH3 Sb P
2024-08-06 21:44:24.962535
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071292854).
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 agm071292854
data_agm071292854
_cell_length_a 9.21181
_cell_length_b 9.21181
_cell_length_c 9.21181
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 781.69031
_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
Sb1 Sb 0.62500 0.62500 0.62500 1.00000
Sb2 Sb 0.87500 0.37500 0.12500 1.00000
Sb3 Sb 0.37500 0.12500 0.87500 1.00000
Sb4 Sb 0.12500 0.87500 0.37500 1.00000
P1 P 0.62500 0.21078 0.03922 1.00000
P2 P 0.87500 0.78922 0.53922 1.00000
P3 P 0.37500 0.71078 0.46078 1.00000
P4 P 0.12500 0.28922 0.96078 1.00000
P5 P 0.03922 0.62500 0.21078 1.00000
P6 P 0.53922 0.87500 0.78922 1.00000
P7 P 0.46078 0.37500 0.71078 1.00000
P8 P 0.96078 0.12500 0.28922 1.00000
P9 P 0.21078 0.03922 0.62500 1.00000
P10 P 0.78922 0.53922 0.87500 1.00000
P11 P 0.71078 0.46078 0.37500 1.00000
P12 P 0.28922 0.96078 0.12500 1.00000
H1 H 0.31636 0.43137 0.70314 1.00000
H2 H 0.18364 0.56863 0.20314 1.00000
H3 H 0.68364 0.93137 0.79686 1.00000
H4 H 0.81636 0.06863 0.29686 1.00000
H5 H 0.70314 0.31636 0.43137 1.00000
H6 H 0.20314 0.18364 0.56863 1.00000
H7 H 0.79686 0.68364 0.93137 1.00000
H8 H 0.29686 0.81636 0.06863 1.00000
H9 H 0.43137 0.70314 0.31636 1.00000
H10 H 0.56863 0.20314 0.18364 1.00000
H11 H 0.93137 0.79686 0.68364 1.00000
H12 H 0.06863 0.29686 0.81636 1.00000
H13 H 0.68137 0.06636 0.04686 1.00000
H14 H 0.81863 0.93364 0.54686 1.00000
H15 H 0.18137 0.43364 0.95314 1.00000
H16 H 0.31863 0.56636 0.45314 1.00000
H17 H 0.56636 0.45314 0.31863 1.00000
H18 H 0.43364 0.95314 0.18137 1.00000
H19 H 0.93364 0.54686 0.81863 1.00000
H20 H 0.06636 0.04686 0.68137 1.00000
H21 H 0.95314 0.18137 0.43364 1.00000
H22 H 0.45314 0.31863 0.56636 1.00000
H23 H 0.04686 0.68137 0.06636 1.00000
H24 H 0.54686 0.81863 0.93364 1.00000
