CdPt8
Alexandria ALEXAlex-ID: agm002332012 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB8_0_spg139
CdPt3 Pt
2019-02-08 02:14:20
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002332012).
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 agm002332012
data_agm002332012
_cell_length_a 4.00232
_cell_length_b 6.32373
_cell_length_c 6.32373
_cell_angle_alpha 84.12382
_cell_angle_beta 71.63517
_cell_angle_gamma 71.63517
_cell_volume 144.16246
_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
Pt1 Pt 0.66801 0.99968 0.66395 1.00000
Pt2 Pt 0.33199 0.00032 0.33605 1.00000
Pt3 Pt 0.66801 0.66395 0.99968 1.00000
Pt4 Pt 0.33403 0.66617 0.66617 1.00000
Pt5 Pt 1.00000 0.66606 0.33394 1.00000
Pt6 Pt 0.00000 0.33394 0.66606 1.00000
Pt7 Pt 0.66597 0.33383 0.33383 1.00000
Pt8 Pt 0.33199 0.33605 0.00032 1.00000
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
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