Cu2MoPt8
Alexandria ALEXAlex-ID: agm005966499 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_445_spg12
CuPt3 CuMoPt6 CuPt
2023-09-26 14:58:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005966499).
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 agm005966499
data_agm005966499
_cell_length_a 4.02237
_cell_length_b 6.65486
_cell_length_c 6.65487
_cell_angle_alpha 105.37227
_cell_angle_beta 89.99321
_cell_angle_gamma 89.99327
_cell_volume 171.76657
_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
Cu1 Cu 1.00000 0.61390 0.38611 1.00000
Cu2 Cu 0.00000 0.38610 0.61389 1.00000
Mo1 Mo 0.50000 0.00000 0.00000 1.00000
Pt1 Pt 0.00015 0.95804 0.69551 1.00000
Pt2 Pt 0.00015 0.69551 0.95803 1.00000
Pt3 Pt 0.50020 0.66774 0.66774 1.00000
Pt4 Pt 0.50000 0.25035 0.74965 1.00000
Pt5 Pt 0.50000 0.74965 0.25035 1.00000
Pt6 Pt 0.49980 0.33226 0.33226 1.00000
Pt7 Pt 0.99985 0.30449 0.04197 1.00000
Pt8 Pt 0.99985 0.04196 0.30449 1.00000
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