Lu4Zn5Ge6
Alexandria ALEXAlex-ID: agm003239446 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B5C6_3_spg36
Lu4Zn5Ge6
2021-12-28 04:07:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003239446).
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 agm003239446
data_agm003239446
_cell_length_a 9.42670
_cell_length_b 9.42670
_cell_length_c 15.07406
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 154.20529
_cell_volume 582.88931
_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
Zn1 Zn 0.56495 0.43505 0.31447 1.00000
Zn2 Zn 0.43505 0.56495 0.81447 1.00000
Zn3 Zn 0.84834 0.15166 0.37422 1.00000
Zn4 Zn 0.15166 0.84834 0.87422 1.00000
Zn5 Zn 0.34888 0.65112 0.51844 1.00000
Zn6 Zn 0.65112 0.34888 0.01844 1.00000
Zn7 Zn 0.69894 0.30106 0.37713 1.00000
Zn8 Zn 0.30106 0.69894 0.87713 1.00000
Zn9 Zn 0.65520 0.34480 0.72571 1.00000
Zn10 Zn 0.34480 0.65520 0.22571 1.00000
Lu1 Lu 0.03340 0.96660 0.73565 1.00000
Lu2 Lu 0.96660 0.03340 0.23565 1.00000
Lu3 Lu 0.83308 0.16692 0.69833 1.00000
Lu4 Lu 0.16692 0.83308 0.19833 1.00000
Lu5 Lu 0.17432 0.82568 0.55668 1.00000
Lu6 Lu 0.82568 0.17432 0.05668 1.00000
Lu7 Lu 0.98145 0.01855 0.50147 1.00000
Lu8 Lu 0.01855 0.98145 0.00147 1.00000
Ge1 Ge 0.22937 0.77063 0.73414 1.00000
Ge2 Ge 0.56934 0.43066 0.59011 1.00000
Ge3 Ge 0.22486 0.77514 0.01757 1.00000
Ge4 Ge 0.77514 0.22486 0.51757 1.00000
Ge5 Ge 0.56055 0.43945 0.14554 1.00000
Ge6 Ge 0.43945 0.56055 0.64554 1.00000
Ge7 Ge 0.56707 0.43293 0.87061 1.00000
Ge8 Ge 0.43293 0.56707 0.37061 1.00000
Ge9 Ge 0.88722 0.11278 0.88446 1.00000
Ge10 Ge 0.11278 0.88722 0.38446 1.00000
Ge11 Ge 0.43066 0.56934 0.09011 1.00000
Ge12 Ge 0.77063 0.22937 0.23414 1.00000
