Zr(In2Pt)4
Alexandria ALEXAlex-ID: agm097624880 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1445_spg6
ZrInPt In2Pt In
2025-06-20 01:13:50
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097624880).
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 agm097624880
data_agm097624880
_cell_length_a 4.45142
_cell_length_b 8.26591
_cell_length_c 8.57029
_cell_angle_alpha 109.65760
_cell_angle_beta 90.00140
_cell_angle_gamma 89.99868
_cell_volume 296.96524
_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 0.15385 0.13150 0.18988 1.00000
In1 In 0.65386 0.37857 0.39977 1.00000
In2 In 0.15383 0.05147 0.81202 1.00000
In3 In 0.15379 0.59128 0.23391 1.00000
In4 In 0.15388 0.72401 0.90476 1.00000
In5 In 0.65380 0.31807 0.03003 1.00000
In6 In 0.15386 0.25098 0.58100 1.00000
In7 In 0.65386 0.93407 0.30358 1.00000
In8 In 0.65386 0.78569 0.62822 1.00000
Pt1 Pt 0.65386 0.96488 0.98545 1.00000
Pt2 Pt 0.15388 0.89949 0.47292 1.00000
Pt3 Pt 0.15379 0.40505 0.91199 1.00000
Pt4 Pt 0.15387 0.56494 0.54645 1.00000
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