La6Ge2P3Cl
Alexandria ALEXAlex-ID: agm004595656 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
La6GeP3Cl2 La6P5Cl LaGe
2022-06-28 18:04:27.957378
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004595656).
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 agm004595656
data_agm004595656
_cell_length_a 4.27135
_cell_length_b 8.73450
_cell_length_c 9.66536
_cell_angle_alpha 103.32664
_cell_angle_beta 102.76554
_cell_angle_gamma 90.00000
_cell_volume 341.72010
_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 0.32942 0.92144 0.65883 1.00000
La2 La 0.66571 0.58841 0.33141 1.00000
La3 La 0.67058 0.07856 0.34117 1.00000
La4 La 0.99847 0.26638 0.99694 1.00000
La5 La 0.00153 0.73362 0.00306 1.00000
La6 La 0.33429 0.41159 0.66859 1.00000
Ge1 Ge 0.83671 0.67331 0.67343 1.00000
Ge2 Ge 0.16329 0.32669 0.32657 1.00000
P1 P 0.50000 0.50000 0.00000 1.00000
P2 P 0.83625 0.16528 0.67250 1.00000
P3 P 0.16375 0.83472 0.32750 1.00000
Cl1 Cl 0.50000 0.00000 0.00000 1.00000
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