PaZn(H4Pt)2
Alexandria ALEXAlex-ID: agm007182965 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_5_spg82
PaH4 PaPt3 ZnPt H2
2024-03-16 07:31:25.731414
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007182965).
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 agm007182965
data_agm007182965
_cell_length_a 4.32621
_cell_length_b 4.43611
_cell_length_c 6.64533
_cell_angle_alpha 103.43539
_cell_angle_beta 111.90389
_cell_angle_gamma 94.67473
_cell_volume 113.07304
_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
Pa1 Pa 0.95926 0.42892 0.45265 1.00000
Zn1 Zn 0.96163 0.81232 0.97161 1.00000
H1 H 0.33402 0.47229 0.18201 1.00000
H2 H 0.81485 0.88301 0.33903 1.00000
H3 H 0.80459 0.41502 0.76985 1.00000
H4 H 0.63978 0.83340 0.66246 1.00000
H5 H 0.34527 0.18284 0.30951 1.00000
H6 H 0.19838 0.87753 0.78469 1.00000
H7 H 0.75346 0.16812 0.06468 1.00000
H8 H 0.28089 0.44455 0.82578 1.00000
Pt1 Pt 0.40748 0.82379 0.35128 1.00000
Pt2 Pt 0.50039 0.15820 0.78647 1.00000
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