Pm2Zn6Ga
Alexandria ALEXAlex-ID: agm005665822 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_687_spg164
PmZn3Ga Pm3Zn11 Pm3(ZnGa)4
2023-07-12 23:43:41.143407
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005665822).
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
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# CIF generated by HEAS from Alexandria entry agm005665822
data_agm005665822
_cell_length_a 5.80462
_cell_length_b 5.82994
_cell_length_c 5.83141
_cell_angle_alpha 119.99166
_cell_angle_beta 89.98803
_cell_angle_gamma 90.00000
_cell_volume 170.91442
_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
Pm1 Pm 0.84625 0.66664 0.33327 1.00000
Pm2 Pm 0.15375 0.33336 0.66673 1.00000
Zn1 Zn 0.34041 0.35646 0.17825 1.00000
Zn2 Zn 0.34038 0.82160 0.64320 1.00000
Zn3 Zn 0.34041 0.82180 0.17825 1.00000
Zn4 Zn 0.65959 0.64354 0.82175 1.00000
Zn5 Zn 0.65962 0.17840 0.35680 1.00000
Zn6 Zn 0.65959 0.17820 0.82175 1.00000
Ga1 Ga 0.00000 0.00000 0.00000 1.00000
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