Cr3Ni3Pt8
Alexandria ALEXAlex-ID: agm008743501 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_175_spg2
Ni3Pt CrNiPt2 CrPt3
2024-03-11 19:44:51.080085
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008743501).
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 agm008743501
data_agm008743501
_cell_length_a 4.69348
_cell_length_b 6.11211
_cell_length_c 7.13668
_cell_angle_alpha 91.27822
_cell_angle_beta 90.53703
_cell_angle_gamma 104.83352
_cell_volume 197.83432
_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
Cr1 Cr 0.28772 0.36338 0.77904 1.00000
Cr2 Cr 0.71228 0.63662 0.22096 1.00000
Cr3 Cr 0.00000 0.00000 0.00000 1.00000
Ni1 Ni 0.00000 0.50000 0.50000 1.00000
Ni2 Ni 0.72122 0.14036 0.71430 1.00000
Ni3 Ni 0.27878 0.85964 0.28570 1.00000
Pt1 Pt 0.14175 0.43668 0.14957 1.00000
Pt2 Pt 0.85825 0.56332 0.85043 1.00000
Pt3 Pt 0.85433 0.06045 0.34744 1.00000
Pt4 Pt 0.14567 0.93955 0.65256 1.00000
Pt5 Pt 0.56476 0.71406 0.56473 1.00000
Pt6 Pt 0.43524 0.28594 0.43527 1.00000
Pt7 Pt 0.43690 0.78512 0.94037 1.00000
Pt8 Pt 0.56310 0.21488 0.05963 1.00000
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