Pm16Zn5Cu3
Alexandria ALEXAlex-ID: agm008457151 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B5C16_52_spg8
Pm2Zn Pm PmCu
2024-07-09 16:27:39.269019
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008457151).
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 agm008457151
data_agm008457151
_cell_length_a 9.06037
_cell_length_b 9.06037
_cell_length_c 11.41702
_cell_angle_alpha 98.78598
_cell_angle_beta 98.78598
_cell_angle_gamma 46.73605
_cell_volume 672.97836
_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 0.83247 0.34396 0.57905 1.00000
Pm2 Pm 0.41680 0.41680 0.43063 1.00000
Pm3 Pm 0.72171 0.72171 0.09294 1.00000
Pm4 Pm 0.04076 0.04076 0.30134 1.00000
Pm5 Pm 0.97374 0.97374 0.90509 1.00000
Pm6 Pm 0.34396 0.83247 0.57905 1.00000
Pm7 Pm 0.97745 0.47539 0.35210 1.00000
Pm8 Pm 0.47539 0.97745 0.35210 1.00000
Pm9 Pm 0.18356 0.18356 0.06850 1.00000
Pm10 Pm 0.86960 0.86960 0.58924 1.00000
Pm11 Pm 0.53737 0.01233 0.84235 1.00000
Pm12 Pm 0.01233 0.53737 0.84235 1.00000
Pm13 Pm 0.28556 0.28556 0.61470 1.00000
Pm14 Pm 0.62363 0.15072 0.14729 1.00000
Pm15 Pm 0.58044 0.58044 0.85683 1.00000
Pm16 Pm 0.15072 0.62363 0.14729 1.00000
Zn1 Zn 0.74677 0.37039 0.10529 1.00000
Zn2 Zn 0.56451 0.56451 0.31263 1.00000
Zn3 Zn 0.37039 0.74677 0.10529 1.00000
Zn4 Zn 0.12391 0.12391 0.79081 1.00000
Zn5 Zn 0.41819 0.41819 0.92923 1.00000
Cu1 Cu 0.86811 0.86811 0.33632 1.00000
Cu2 Cu 0.61730 0.26544 0.71756 1.00000
Cu3 Cu 0.26544 0.61730 0.71756 1.00000
