La2MoH7
Alexandria ALEXAlex-ID: agm006205451 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_796_spg12
MoH LaH3
2024-02-06 15:32:53
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006205451).
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 agm006205451
data_agm006205451
_cell_length_a 5.05733
_cell_length_b 5.05751
_cell_length_c 7.67512
_cell_angle_alpha 109.18220
_cell_angle_beta 70.82348
_cell_angle_gamma 120.00240
_cell_volume 157.29854
_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
H1 H 0.10308 0.75618 0.13803 1.00000
H2 H 0.84345 0.95539 0.85555 1.00000
H3 H 0.37367 0.48562 0.85567 1.00000
H4 H 0.10318 0.22582 0.13786 1.00000
H5 H 0.47331 0.85568 0.49684 1.00000
H6 H 0.57277 0.22585 0.13795 1.00000
H7 H 0.84334 0.48562 0.85571 1.00000
La1 La 0.36677 0.96206 0.81541 1.00000
La2 La 0.57961 0.74944 0.17830 1.00000
Mo1 Mo 0.97322 0.35573 0.99684 1.00000
Get direct link