La4Sb2H3
Alexandria ALEXAlex-ID: agm005661483 · Space group: Cmce (#64)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_75_spg64
La4Sb3 La3SbH4 LaH2
2023-06-27 04:07:49.631350
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005661483).
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 agm005661483
data_agm005661483
_cell_length_a 6.55586
_cell_length_b 8.31585
_cell_length_c 8.41886
_cell_angle_alpha 90.00000
_cell_angle_beta 112.91439
_cell_angle_gamma 90.00000
_cell_volume 422.75666
_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 0.70631 0.75000 0.91261 1.00000
La2 La 0.79369 0.25000 0.08739 1.00000
La3 La 0.29369 0.25000 0.08739 1.00000
La4 La 0.20631 0.75000 0.91261 1.00000
La5 La 0.20079 0.90262 0.40158 1.00000
La6 La 0.79921 0.09738 0.59842 1.00000
La7 La 0.29921 0.40262 0.59842 1.00000
La8 La 0.70079 0.59738 0.40158 1.00000
Sb1 Sb 0.11594 0.56440 0.23188 1.00000
Sb2 Sb 0.88406 0.43560 0.76812 1.00000
Sb3 Sb 0.38406 0.06440 0.76812 1.00000
Sb4 Sb 0.61594 0.93560 0.23188 1.00000
H1 H 0.00000 0.00000 0.00000 1.00000
H2 H 0.50000 0.50000 0.00000 1.00000
H3 H 0.54133 0.75000 0.58265 1.00000
H4 H 0.95867 0.25000 0.41735 1.00000
H5 H 0.45867 0.25000 0.41735 1.00000
H6 H 0.04133 0.75000 0.58265 1.00000
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