Pm2CdGePt6
Alexandria ALEXAlex-ID: agm004940539 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_453_spg148
PmGePt2 PmCdPt4
2023-01-11 15:07:47.719445
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004940539).
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 agm004940539
data_agm004940539
_cell_length_a 8.97597
_cell_length_b 5.66927
_cell_length_c 8.98147
_cell_angle_alpha 71.62946
_cell_angle_beta 36.80847
_cell_angle_gamma 90.02452
_cell_volume 232.79026
_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 0.29750 0.70179 0.59631 1.00000
Pm2 Pm 0.70250 0.29821 0.40369 1.00000
Cd1 Cd 0.50000 0.50000 0.00000 1.00000
Ge1 Ge 0.00000 0.00000 0.00000 1.00000
Pt1 Pt 0.24532 0.75610 0.97564 1.00000
Pt2 Pt 0.75470 0.73137 0.02439 1.00000
Pt3 Pt 0.26726 0.24405 0.51161 1.00000
Pt4 Pt 0.75468 0.24390 0.02436 1.00000
Pt5 Pt 0.24530 0.26863 0.97561 1.00000
Pt6 Pt 0.73274 0.75595 0.48839 1.00000
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