SbHCl3
Alexandria ALEXAlex-ID: agm005752354 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_8059_spg11
H3Cl SbH3 SbCl3
2023-07-07 17:41:05.880487
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005752354).
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 agm005752354
data_agm005752354
_cell_length_a 6.25134
_cell_length_b 7.53496
_cell_length_c 20.64273
_cell_angle_alpha 126.99043
_cell_angle_beta 72.73454
_cell_angle_gamma 89.64594
_cell_volume 719.56566
_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 0.24856 0.50588 0.50132 1.00000
Sb2 Sb 0.25140 0.99730 0.99830 1.00000
Sb3 Sb 0.74860 0.00270 0.00170 1.00000
Sb4 Sb 0.75144 0.49412 0.49868 1.00000
H1 H 0.56427 0.17718 0.68758 1.00000
H2 H 0.03713 0.63597 0.21201 1.00000
H3 H 0.96287 0.36403 0.78799 1.00000
H4 H 0.43573 0.82282 0.31242 1.00000
Cl1 Cl 0.59755 0.79786 0.65378 1.00000
Cl2 Cl 0.79432 0.72000 0.45314 1.00000
Cl3 Cl 0.09618 0.23229 0.15479 1.00000
Cl4 Cl 0.44675 0.63292 0.30045 1.00000
Cl5 Cl 0.71361 0.36422 0.03424 1.00000
Cl6 Cl 0.02470 0.82293 0.22185 1.00000
Cl7 Cl 0.97530 0.17707 0.77815 1.00000
Cl8 Cl 0.28639 0.63578 0.96576 1.00000
Cl9 Cl 0.55325 0.36708 0.69955 1.00000
Cl10 Cl 0.90382 0.76771 0.84521 1.00000
Cl11 Cl 0.20568 0.28000 0.54686 1.00000
Cl12 Cl 0.40245 0.20214 0.34622 1.00000
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