Pm2Zn3Cd5
Alexandria ALEXAlex-ID: agm003345962 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5_91_spg72
PmCd5 Pm2Zn17 PmCd3
2022-02-02 14:58:23.199280
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003345962).
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 agm003345962
data_agm003345962
_cell_length_a 6.15195
_cell_length_b 9.14300
_cell_length_c 9.14300
_cell_angle_alpha 81.84747
_cell_angle_beta 70.34051
_cell_angle_gamma 70.34051
_cell_volume 455.82426
_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 0.12967 0.61419 0.12647 1.00000
Pm2 Pm 0.62967 0.12647 0.61419 1.00000
Pm3 Pm 0.87033 0.38581 0.87353 1.00000
Pm4 Pm 0.37033 0.87353 0.38581 1.00000
Zn1 Zn 0.37517 0.48430 0.76536 1.00000
Zn2 Zn 0.87517 0.76536 0.48430 1.00000
Zn3 Zn 0.62483 0.51570 0.23464 1.00000
Zn4 Zn 0.12483 0.23464 0.51570 1.00000
Zn5 Zn 0.25000 0.00000 0.00000 1.00000
Zn6 Zn 0.75000 0.00000 0.00000 1.00000
Cd1 Cd 0.38692 0.25733 0.96883 1.00000
Cd2 Cd 0.88692 0.96883 0.25733 1.00000
Cd3 Cd 0.61308 0.74267 0.03117 1.00000
Cd4 Cd 0.11308 0.03117 0.74267 1.00000
Cd5 Cd 0.50111 0.74889 0.74889 1.00000
Cd6 Cd 0.49889 0.25111 0.25111 1.00000
Cd7 Cd 0.75000 0.50000 0.50000 1.00000
Cd8 Cd 0.25000 0.50000 0.50000 1.00000
Cd9 Cd 0.99889 0.25111 0.25111 1.00000
Cd10 Cd 0.00111 0.74889 0.74889 1.00000
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