La6ZnP2Br3
Alexandria ALEXAlex-ID: agm004597253 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
La4Zn La4Zn3 La2PBr La3PBr3
2022-06-28 17:57:32.371433
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004597253).
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 agm004597253
data_agm004597253
_cell_length_a 4.23860
_cell_length_b 8.96534
_cell_length_c 9.88481
_cell_angle_alpha 105.54026
_cell_angle_beta 102.38030
_cell_angle_gamma 90.00000
_cell_volume 352.82058
_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 0.33651 0.89173 0.67303 1.00000
La2 La 0.67513 0.55835 0.35026 1.00000
La3 La 0.66349 0.10827 0.32697 1.00000
La4 La 0.01032 0.24262 0.02063 1.00000
La5 La 0.98968 0.75738 0.97937 1.00000
La6 La 0.32487 0.44165 0.64974 1.00000
Zn1 Zn 0.50000 0.00000 0.00000 1.00000
P1 P 0.83140 0.66667 0.66279 1.00000
P2 P 0.16860 0.33333 0.33721 1.00000
Br1 Br 0.50000 0.50000 0.00000 1.00000
Br2 Br 0.83497 0.17080 0.66993 1.00000
Br3 Br 0.16503 0.82920 0.33007 1.00000
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