Pm6CdAg2
Alexandria ALEXAlex-ID: agm005643460 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_680_spg12
Pm2Cd Pm PmAg
2023-07-14 09:45:42.904824
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005643460).
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 agm005643460
data_agm005643460
_cell_length_a 6.98511
_cell_length_b 6.98511
_cell_length_c 10.17299
_cell_angle_alpha 53.84242
_cell_angle_beta 53.84242
_cell_angle_gamma 44.02006
_cell_volume 266.06411
_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 0.02153 0.02153 0.16239 1.00000
Pm2 Pm 0.68360 0.68360 0.83796 1.00000
Pm3 Pm 0.31640 0.31640 0.16204 1.00000
Pm4 Pm 0.65655 0.65655 0.49981 1.00000
Pm5 Pm 0.34345 0.34345 0.50019 1.00000
Pm6 Pm 0.97847 0.97847 0.83761 1.00000
Cd1 Cd 0.00000 0.00000 0.50000 1.00000
Ag1 Ag 0.65964 0.65964 0.18059 1.00000
Ag2 Ag 0.34036 0.34036 0.81941 1.00000
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