InGa(H4Pd)2
Alexandria ALEXAlex-ID: agm007615066 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1992_spg1
InPd GaPd H2
2024-10-15 11:06:00.306624
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007615066).
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 agm007615066
data_agm007615066
_cell_length_a 4.95320
_cell_length_b 5.46640
_cell_length_c 7.05919
_cell_angle_alpha 115.56884
_cell_angle_beta 115.27351
_cell_angle_gamma 104.37355
_cell_volume 132.19349
_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
In1 In 0.61563 0.88650 0.67511 1.00000
Ga1 Ga 0.86191 0.51259 0.54095 1.00000
H1 H 0.82179 0.19611 0.56755 1.00000
H2 H 0.77076 0.26982 0.23851 1.00000
H3 H 0.20912 0.89017 0.44828 1.00000
H4 H 0.45315 0.28667 0.85362 1.00000
H5 H 0.65279 0.70768 0.19355 1.00000
H6 H 0.14778 0.37177 0.09822 1.00000
H7 H 0.02402 0.67558 0.02861 1.00000
H8 H 0.32836 0.71230 0.79019 1.00000
Pd1 Pd 0.22402 0.47314 0.90934 1.00000
Pd2 Pd 0.89067 0.51766 0.15606 1.00000
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