La6Mn2HCl3
Alexandria ALEXAlex-ID: agm007752111 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_125_spg2
La2Cl5 LaHCl La Mn
2024-03-16 08:43:55.528898
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007752111).
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 agm007752111
data_agm007752111
_cell_length_a 9.55261
_cell_length_b 9.55261
_cell_length_c 8.99944
_cell_angle_alpha 67.98702
_cell_angle_beta 67.98702
_cell_angle_gamma 24.32942
_cell_volume 312.47030
_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 0.64906 0.64906 0.40287 1.00000
La2 La 0.32345 0.32345 0.05611 1.00000
La3 La 0.35094 0.35094 0.59713 1.00000
La4 La 0.98574 0.98574 0.73054 1.00000
La5 La 0.01426 0.01426 0.26946 1.00000
La6 La 0.67655 0.67655 0.94389 1.00000
Mn1 Mn 0.14078 0.14078 0.19494 1.00000
Mn2 Mn 0.85922 0.85922 0.80506 1.00000
H1 H 0.50000 0.50000 0.50000 1.00000
Cl1 Cl 0.50000 0.50000 0.00000 1.00000
Cl2 Cl 0.17441 0.17441 0.67075 1.00000
Cl3 Cl 0.82559 0.82559 0.32925 1.00000
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