ZrZn3Pt2
Alexandria ALEXAlex-ID: agm005806849 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2624_spg12
ZrZnPt ZrZnPt2 Zn3Pt
2023-08-25 12:13:26.810409
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005806849).
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 agm005806849
data_agm005806849
_cell_length_a 3.68101
_cell_length_b 8.84769
_cell_length_c 6.79102
_cell_angle_alpha 114.23628
_cell_angle_beta 89.95023
_cell_angle_gamma 102.10135
_cell_volume 196.29475
_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
Zr1 Zr 0.88994 0.77517 0.90691 1.00000
Zr2 Zr 0.11006 0.22483 0.09309 1.00000
Zn1 Zn 0.30847 0.61506 0.51288 1.00000
Zn2 Zn 0.92637 0.84700 0.48340 1.00000
Zn3 Zn 0.63468 0.27274 0.79990 1.00000
Zn4 Zn 0.36532 0.72726 0.20010 1.00000
Zn5 Zn 0.07363 0.15300 0.51660 1.00000
Zn6 Zn 0.69153 0.38494 0.48712 1.00000
Pt1 Pt 0.48644 0.96473 0.78023 1.00000
Pt2 Pt 0.51356 0.03527 0.21977 1.00000
Pt3 Pt 0.75578 0.51008 0.18972 1.00000
Pt4 Pt 0.24422 0.48992 0.81028 1.00000
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