ZnGa(H4Pd)2
Alexandria ALEXAlex-ID: agm007476961 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_2074_spg1
ZnPd GaPd H2
2024-02-09 00:27:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007476961).
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 agm007476961
data_agm007476961
_cell_length_a 4.36542
_cell_length_b 4.93240
_cell_length_c 6.57800
_cell_angle_alpha 73.61198
_cell_angle_beta 72.68340
_cell_angle_gamma 57.27018
_cell_volume 112.44616
_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
Zn1 Zn 0.76491 0.43536 0.37207 1.00000
Ga1 Ga 0.74438 0.81847 0.94160 1.00000
H1 H 0.51465 0.98266 0.50795 1.00000
H2 H 0.17105 0.48131 0.36065 1.00000
H3 H 0.33410 0.04356 0.59070 1.00000
H4 H 0.56251 0.38353 0.64335 1.00000
H5 H 0.14619 0.12762 0.99079 1.00000
H6 H 0.03800 0.01032 0.36240 1.00000
H7 H 0.92217 0.61542 0.72383 1.00000
H8 H 0.34747 0.50366 0.00128 1.00000
Pd1 Pd 0.79818 0.31442 0.83430 1.00000
Pd2 Pd 0.15640 0.78367 0.17108 1.00000
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