Zn11CdGa17
Alexandria ALEXAlex-ID: agm011985198 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB11C17_86_spg1
Zn Cd Zn2Ga7
2024-06-06 19:01:01.687931
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011985198).
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 agm011985198
data_agm011985198
_cell_length_a 7.43684
_cell_length_b 8.75388
_cell_length_c 9.60869
_cell_angle_alpha 94.38824
_cell_angle_beta 101.85016
_cell_angle_gamma 117.91055
_cell_volume 530.10607
_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 0.54710 0.41025 0.86081 1.00000
Zn2 Zn 0.08154 0.20432 0.08474 1.00000
Zn3 Zn 0.93432 0.54426 0.32171 1.00000
Zn4 Zn 0.37300 0.80482 0.40677 1.00000
Zn5 Zn 0.78974 0.02300 0.51778 1.00000
Zn6 Zn 0.63291 0.23603 0.57879 1.00000
Zn7 Zn 0.22908 0.16556 0.56508 1.00000
Zn8 Zn 0.18359 0.65433 0.62577 1.00000
Zn9 Zn 0.18530 0.81027 0.88871 1.00000
Zn10 Zn 0.81292 0.10708 0.79807 1.00000
Zn11 Zn 0.19329 0.11489 0.85192 1.00000
Cd1 Cd 0.61341 0.04702 0.02782 1.00000
Ga1 Ga 0.93375 0.42531 0.96827 1.00000
Ga2 Ga 0.42379 0.65624 0.91815 1.00000
Ga3 Ga 0.11787 0.75835 0.14224 1.00000
Ga4 Ga 0.49512 0.30972 0.11930 1.00000
Ga5 Ga 0.85335 0.84227 0.92437 1.00000
Ga6 Ga 0.31626 0.55104 0.19018 1.00000
Ga7 Ga 0.72549 0.20846 0.32281 1.00000
Ga8 Ga 0.71541 0.66983 0.15945 1.00000
Ga9 Ga 0.90538 0.00763 0.26904 1.00000
Ga10 Ga 0.30700 0.08126 0.30958 1.00000
Ga11 Ga 0.17100 0.40417 0.43372 1.00000
Ga12 Ga 0.56793 0.47862 0.42819 1.00000
Ga13 Ga 0.39785 0.99791 0.71074 1.00000
Ga14 Ga 0.95832 0.80946 0.50047 1.00000
Ga15 Ga 0.11707 0.36166 0.72007 1.00000
Ga16 Ga 0.59690 0.75053 0.64357 1.00000
Ga17 Ga 0.82132 0.56572 0.71188 1.00000
