Ac2SbH3
Alexandria ALEXAlex-ID: agm005808043 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1277_spg12
AcH3 AcSb
2023-07-09 23:50:38.379975
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005808043).
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 agm005808043
data_agm005808043
_cell_length_a 4.30482
_cell_length_b 8.50729
_cell_length_c 7.81013
_cell_angle_alpha 113.91819
_cell_angle_beta 90.00000
_cell_angle_gamma 104.65555
_cell_volume 251.24846
_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 0.47262 0.94523 0.73725 1.00000
Ac2 Ac 0.52738 0.05477 0.26275 1.00000
Ac3 Ac 0.79516 0.59031 0.30609 1.00000
Ac4 Ac 0.20484 0.40969 0.69391 1.00000
Sb1 Sb 0.86899 0.73797 0.95159 1.00000
Sb2 Sb 0.13101 0.26203 0.04841 1.00000
H1 H 0.30624 0.61249 0.51970 1.00000
H2 H 0.93705 0.87410 0.58059 1.00000
H3 H 0.59557 0.19114 0.62107 1.00000
H4 H 0.40443 0.80886 0.37893 1.00000
H5 H 0.06295 0.12590 0.41941 1.00000
H6 H 0.69376 0.38751 0.48030 1.00000
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